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

C19H30ClN3O2 — CID 119762805

IUPACN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14-5-3-7-17(11-14)22(10-8-18(20)23)19(24)12-15(2)16-6-4-9-21-13-16;/h3,5,7,11,15-16,21H,4,6,8-10,12-13H2,1-2H3,(H2,20,23);1H
InChIKeyUQQOKHYELXSKMO-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.65
Rot. Bonds7

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

N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119762805) 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-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119762805
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14-5-3-7-17(11-14)22(10-8-18(20)23)19(24)12-15(2)16-6-4-9-21-13-16;/h3,5,7,11,15-16,21H,4,6,8-10,12-13H2,1-2H3,(H2,20,23);1H
InChIKeyUQQOKHYELXSKMO-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-4-ylbutanamide;hydrochloride
CID 119762815
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119311461
N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119311457
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
CID 81048284
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463
1-[4-(3-methylanilino)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119892708
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
CID 119819887
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119762805) is N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride is Cc1cccc(N(CCC(N)=O)C(=O)CC(C)C2CCCNC2)c1.Cl.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is UQQOKHYELXSKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14-5-3-7-17(11-14)22(10-8-18(20)23)19(24)12-15(2)16-6-4-9-21-13-16;/h3,5,7,11,15-16,21H,4,6,8-10,12-13H2,1-2H3,(H2,20,23);1H.
What are the key properties of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-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-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119762805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).