N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide

C22H31N3O2 — CID 110813829

IUPACN-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H31N3O2/c26-21(16-17-9-10-18-5-3-6-19(18)15-17)24-11-4-12-25(14-13-24)22(27)23-20-7-1-2-8-20/h9-10,15,20H,1-8,11-14,16H2,(H,23,27)
InChIKeySNDJDMBVPJCEDP-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.90
Rot. Bonds3

About N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide

N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide (PubChem CID 110813829) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
PubChem CID110813829
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H31N3O2/c26-21(16-17-9-10-18-5-3-6-19(18)15-17)24-11-4-12-25(14-13-24)22(27)23-20-7-1-2-8-20/h9-10,15,20H,1-8,11-14,16H2,(H,23,27)
InChIKeySNDJDMBVPJCEDP-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]acetamide
CID 17421092
N-tert-butyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813828
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
N-tert-butyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813796
N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813914
N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide
CID 110813116
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 110813129
N-cyclopentyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813824

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide (CID 110813829) is N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide is O=C(Cc1ccc2c(c1)CCC2)N1CCCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide?
The InChIKey is SNDJDMBVPJCEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21(16-17-9-10-18-5-3-6-19(18)15-17)24-11-4-12-25(14-13-24)22(27)23-20-7-1-2-8-20/h9-10,15,20H,1-8,11-14,16H2,(H,23,27).
What are the key properties of N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide?
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).