N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide

C24H35N5O5 — CID 11865941

IUPACN-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide
SMILESCC(=O)N1CCC(C(=O)N2CC[C@@H]3NC(=O)[C@H]4C[C@H](NC(=O)C5CCCC5)CN4C(=O)[C@H]32)CC1
InChIInChI=1S/C24H35N5O5/c1-14(30)27-9-6-16(7-10-27)23(33)28-11-8-18-20(28)24(34)29-13-17(12-19(29)22(32)26-18)25-21(31)15-4-2-3-5-15/h15-20H,2-13H2,1H3,(H,25,31)(H,26,32)/t17-,18-,19+,20-/m0/s1
InChIKeyMASVKAABBUTLPY-HAGHYFMRSA-N
MW473.57 g/mol
LogP-0.38
Rot. Bonds3

About N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide

N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide (PubChem CID 11865941) has the molecular formula C24H35N5O5 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide
PubChem CID11865941
Molecular FormulaC24H35N5O5
Molecular Weight473.57 g/mol
Exact Mass473.26
IUPAC NameN-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide
SMILESCC(=O)N1CCC(C(=O)N2CC[C@@H]3NC(=O)[C@H]4C[C@H](NC(=O)C5CCCC5)CN4C(=O)[C@H]32)CC1
InChIInChI=1S/C24H35N5O5/c1-14(30)27-9-6-16(7-10-27)23(33)28-11-8-18-20(28)24(34)29-13-17(12-19(29)22(32)26-18)25-21(31)15-4-2-3-5-15/h15-20H,2-13H2,1H3,(H,25,31)(H,26,32)/t17-,18-,19+,20-/m0/s1
InChIKeyMASVKAABBUTLPY-HAGHYFMRSA-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 N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide (CID 11865941) is N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide is CC(=O)N1CCC(C(=O)N2CC[C@@H]3NC(=O)[C@H]4C[C@H](NC(=O)C5CCCC5)CN4C(=O)[C@H]32)CC1.
What is the InChIKey of N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide?
The InChIKey is MASVKAABBUTLPY-HAGHYFMRSA-N. The full InChI is InChI=1S/C24H35N5O5/c1-14(30)27-9-6-16(7-10-27)23(33)28-11-8-18-20(28)24(34)29-13-17(12-19(29)22(32)26-18)25-21(31)15-4-2-3-5-15/h15-20H,2-13H2,1H3,(H,25,31)(H,26,32)/t17-,18-,19+,20-/m0/s1.
What are the key properties of N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide?
N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide 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 N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide is sourced from PubChem (CID 11865941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).