N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride

C20H30ClN3O2 — CID 119725834

IUPACN-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-13-5-8-17(22-20(25)15-6-7-15)11-18(13)23-19(24)10-14(2)16-4-3-9-21-12-16;/h5,8,11,14-16,21H,3-4,6-7,9-10,12H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyKZGSZPHZGGUPHO-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.73
Rot. Bonds6

About N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride

N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119725834) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119725834
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-13-5-8-17(22-20(25)15-6-7-15)11-18(13)23-19(24)10-14(2)16-4-3-9-21-12-16;/h5,8,11,14-16,21H,3-4,6-7,9-10,12H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyKZGSZPHZGGUPHO-UHFFFAOYSA-N
XLogP3.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119714058
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714059
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879371
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride (CID 119725834) is N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is KZGSZPHZGGUPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-13-5-8-17(22-20(25)15-6-7-15)11-18(13)23-19(24)10-14(2)16-4-3-9-21-12-16;/h5,8,11,14-16,21H,3-4,6-7,9-10,12H2,1-2H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119725834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).