1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide

C24H35N5O5 — CID 3733607

IUPAC1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CC3C(=O)NC4CCN(C(=O)C5CCCC5)C4C(=O)N3C2)CC1
InChIInChI=1S/C24H35N5O5/c1-14(30)27-9-6-15(7-10-27)21(31)25-17-12-19-22(32)26-18-8-11-28(20(18)24(34)29(19)13-17)23(33)16-4-2-3-5-16/h15-20H,2-13H2,1H3,(H,25,31)(H,26,32)
InChIKeyQVQLVZBJWFFVNI-UHFFFAOYSA-N
MW473.57 g/mol
LogP-0.38
Rot. Bonds3

About 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide

1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide (PubChem CID 3733607) has the molecular formula C24H35N5O5 and a molecular weight of 473.57 g/mol. Its IUPAC name is 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide
PubChem CID3733607
Molecular FormulaC24H35N5O5
Molecular Weight473.57 g/mol
Exact Mass473.26
IUPAC Name1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CC3C(=O)NC4CCN(C(=O)C5CCCC5)C4C(=O)N3C2)CC1
InChIInChI=1S/C24H35N5O5/c1-14(30)27-9-6-15(7-10-27)21(31)25-17-12-19-22(32)26-18-8-11-28(20(18)24(34)29(19)13-17)23(33)16-4-2-3-5-16/h15-20H,2-13H2,1H3,(H,25,31)(H,26,32)
InChIKeyQVQLVZBJWFFVNI-UHFFFAOYSA-N
XLogP-0.38
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

(2S,5aS,8aR)-6-cyclohexyl-1-methyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 45360873
N-[4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]acetamide
CID 3295452
N-[4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopropanecarboxamide
CID 3318584
1-acetyl-N-[4-(2-methylsulfanylacetyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide
CID 3451940
N-[4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclobutanecarboxamide
CID 3673928
N-[4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclohexanecarboxamide
CID 3708124
1-acetyl-N-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide
CID 3715111
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 3769401
N-[4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide
CID 3793341
N-[4-(2-methylsulfanylacetyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide
CID 3797924
N-[4-(2-methoxyacetyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide
CID 3810932
N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
CID 4984213

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide (CID 3733607) is 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC2CC3C(=O)NC4CCN(C(=O)C5CCCC5)C4C(=O)N3C2)CC1.
What is the InChIKey of 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide?
The InChIKey is QVQLVZBJWFFVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O5/c1-14(30)27-9-6-15(7-10-27)21(31)25-17-12-19-22(32)26-18-8-11-28(20(18)24(34)29(19)13-17)23(33)16-4-2-3-5-16/h15-20H,2-13H2,1H3,(H,25,31)(H,26,32).
What are the key properties of 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide?
1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide has a molecular weight of 473.57 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide is sourced from PubChem (CID 3733607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).