4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide

C17H32N4O2 — CID 138806132

IUPAC4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide
SMILESCCCNC(=O)N1CCCN(C(=O)CN(C)C2CCCC2)CC1
InChIInChI=1S/C17H32N4O2/c1-3-9-18-17(23)21-11-6-10-20(12-13-21)16(22)14-19(2)15-7-4-5-8-15/h15H,3-14H2,1-2H3,(H,18,23)
InChIKeyMBIXMGAAXIYTCJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.51
Rot. Bonds5

About 4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide

4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide (PubChem CID 138806132) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide
PubChem CID138806132
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide
SMILESCCCNC(=O)N1CCCN(C(=O)CN(C)C2CCCC2)CC1
InChIInChI=1S/C17H32N4O2/c1-3-9-18-17(23)21-11-6-10-20(12-13-21)16(22)14-19(2)15-7-4-5-8-15/h15H,3-14H2,1-2H3,(H,18,23)
InChIKeyMBIXMGAAXIYTCJ-UHFFFAOYSA-N
XLogP1.51
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
4-(cyclopentanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 110364786
4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 79123117
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
4-[2-(4-fluorophenyl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110811568
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide (CID 138806132) is 4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide is CCCNC(=O)N1CCCN(C(=O)CN(C)C2CCCC2)CC1.
What is the InChIKey of 4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide?
The InChIKey is MBIXMGAAXIYTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-3-9-18-17(23)21-11-6-10-20(12-13-21)16(22)14-19(2)15-7-4-5-8-15/h15H,3-14H2,1-2H3,(H,18,23).
What are the key properties of 4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide?
4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 138806132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).