3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide

C19H29N3O — CID 119867921

IUPAC3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(CN3CCCCCC3)cc2)C1
InChIInChI=1S/C19H29N3O/c20-17-8-7-16(13-17)19(23)21-18-9-5-15(6-10-18)14-22-11-3-1-2-4-12-22/h5-6,9-10,16-17H,1-4,7-8,11-14,20H2,(H,21,23)
InChIKeyOMZFQJKHNWRFEZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.13
Rot. Bonds4

About 3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119867921) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID119867921
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(CN3CCCCCC3)cc2)C1
InChIInChI=1S/C19H29N3O/c20-17-8-7-16(13-17)19(23)21-18-9-5-15(6-10-18)14-22-11-3-1-2-4-12-22/h5-6,9-10,16-17H,1-4,7-8,11-14,20H2,(H,21,23)
InChIKeyOMZFQJKHNWRFEZ-UHFFFAOYSA-N
XLogP3.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119843462
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopentyloxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119795202
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclopentane-1-carboxamide
CID 119712465
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860849
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide (CID 119867921) is 3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(CN3CCCCCC3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is OMZFQJKHNWRFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c20-17-8-7-16(13-17)19(23)21-18-9-5-15(6-10-18)14-22-11-3-1-2-4-12-22/h5-6,9-10,16-17H,1-4,7-8,11-14,20H2,(H,21,23).
What are the key properties of 3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119867921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).