7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride

C20H32ClN3O2 — CID 119712957

IUPAC7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)CCCCCCN)cc1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-16-8-5-7-15-23(16)20(25)17-10-12-18(13-11-17)22-19(24)9-4-2-3-6-14-21;/h10-13,16H,2-9,14-15,21H2,1H3,(H,22,24);1H
InChIKeyGKHHYBCGQDIGHR-UHFFFAOYSA-N
MW381.95 g/mol
LogP3.97
Rot. Bonds8

About 7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride

7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride (PubChem CID 119712957) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is 7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
PubChem CID119712957
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC Name7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)CCCCCCN)cc1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-16-8-5-7-15-23(16)20(25)17-10-12-18(13-11-17)22-19(24)9-4-2-3-6-14-21;/h10-13,16H,2-9,14-15,21H2,1H3,(H,22,24);1H
InChIKeyGKHHYBCGQDIGHR-UHFFFAOYSA-N
XLogP3.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid
CID 99774161
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide
CID 60544613
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119712991
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
CID 119871121

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride (CID 119712957) is 7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride is CC1CCCCN1C(=O)c1ccc(NC(=O)CCCCCCN)cc1.Cl.
What is the InChIKey of 7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride?
The InChIKey is GKHHYBCGQDIGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-16-8-5-7-15-23(16)20(25)17-10-12-18(13-11-17)22-19(24)9-4-2-3-6-14-21;/h10-13,16H,2-9,14-15,21H2,1H3,(H,22,24);1H.
What are the key properties of 7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride?
7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119712957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).