N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride

C22H35ClN4O2 — CID 119761516

IUPACN-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1CCCNC1.Cl
InChIInChI=1S/C22H34N4O2.ClH/c1-17(18-7-6-12-23-16-18)15-21(27)24-19-8-10-20(11-9-19)25-22(28)26-13-4-2-3-5-14-26;/h8-11,17-18,23H,2-7,12-16H2,1H3,(H,24,27)(H,25,28);1H
InChIKeyDMNPAZHQWAZSPQ-UHFFFAOYSA-N
MW423.00 g/mol
LogP4.48
Rot. Bonds5

About N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride

N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride (PubChem CID 119761516) has the molecular formula C22H35ClN4O2 and a molecular weight of 423.00 g/mol. Its IUPAC name is N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
PubChem CID119761516
Molecular FormulaC22H35ClN4O2
Molecular Weight423.00 g/mol
Exact Mass422.24
IUPAC NameN-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1CCCNC1.Cl
InChIInChI=1S/C22H34N4O2.ClH/c1-17(18-7-6-12-23-16-18)15-21(27)24-19-8-10-20(11-9-19)25-22(28)26-13-4-2-3-5-14-26;/h8-11,17-18,23H,2-7,12-16H2,1H3,(H,24,27)(H,25,28);1H
InChIKeyDMNPAZHQWAZSPQ-UHFFFAOYSA-N
XLogP4.48
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.00
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119749370
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119878401
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119698584
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885625
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride (CID 119761516) is N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride is CC(CC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1CCCNC1.Cl.
What is the InChIKey of N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride?
The InChIKey is DMNPAZHQWAZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2.ClH/c1-17(18-7-6-12-23-16-18)15-21(27)24-19-8-10-20(11-9-19)25-22(28)26-13-4-2-3-5-14-26;/h8-11,17-18,23H,2-7,12-16H2,1H3,(H,24,27)(H,25,28);1H.
What are the key properties of N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride?
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride has a molecular weight of 423.00 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119761516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).