N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride

C19H30ClN3O2 — CID 119762815

IUPACN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14-4-3-5-17(12-14)22(11-8-18(20)23)19(24)13-15(2)16-6-9-21-10-7-16;/h3-5,12,15-16,21H,6-11,13H2,1-2H3,(H2,20,23);1H
InChIKeyIMDFHVFPRSKZNR-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.65
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119762815) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119762815
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14-4-3-5-17(12-14)22(11-8-18(20)23)19(24)13-15(2)16-6-9-21-10-7-16;/h3-5,12,15-16,21H,6-11,13H2,1-2H3,(H2,20,23);1H
InChIKeyIMDFHVFPRSKZNR-UHFFFAOYSA-N
XLogP2.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119762805
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119311457
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119311461
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463
N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119810163
N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 120610142
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119721910
N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717403
N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62212377
N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795645
N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
CID 119783037
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride
CID 119684345

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119762815) is N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride is Cc1cccc(N(CCC(N)=O)C(=O)CC(C)C2CCNCC2)c1.Cl.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is IMDFHVFPRSKZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14-4-3-5-17(12-14)22(11-8-18(20)23)19(24)13-15(2)16-6-9-21-10-7-16;/h3-5,12,15-16,21H,6-11,13H2,1-2H3,(H2,20,23);1H.
What are the key properties of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119762815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).