4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride

C20H31ClN4O2 — CID 120819466

IUPAC4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CCC1N.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-20(2)14-24(13-10-17(20)21)18(25)15-8-11-23(12-9-15)19(26)22-16-6-4-3-5-7-16;/h3-7,15,17H,8-14,21H2,1-2H3,(H,22,26);1H
InChIKeyJGTFLJJAIWWKTF-UHFFFAOYSA-N
MW394.95 g/mol
LogP2.94
Rot. Bonds2

About 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride (PubChem CID 120819466) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
PubChem CID120819466
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CCC1N.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-20(2)14-24(13-10-17(20)21)18(25)15-8-11-23(12-9-15)19(26)22-16-6-4-3-5-7-16;/h3-7,15,17H,8-14,21H2,1-2H3,(H,22,26);1H
InChIKeyJGTFLJJAIWWKTF-UHFFFAOYSA-N
XLogP2.94
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride
CID 120816101
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide
CID 77038685
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399
(4-amino-3,3-dimethylpiperidin-1-yl)-(thian-4-yl)methanone
CID 120819844
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride (CID 120819466) is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride is CC1(C)CN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CCC1N.Cl.
What is the InChIKey of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is JGTFLJJAIWWKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.ClH/c1-20(2)14-24(13-10-17(20)21)18(25)15-8-11-23(12-9-15)19(26)22-16-6-4-3-5-7-16;/h3-7,15,17H,8-14,21H2,1-2H3,(H,22,26);1H.
What are the key properties of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride?
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120819466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).