4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide

C14H21N3O — CID 115269781

IUPAC4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ccccc2)CCC1N
InChIInChI=1S/C14H21N3O/c1-14(2)10-17(9-8-12(14)15)13(18)16-11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3,(H,16,18)
InChIKeyWVJSRCPBNXPJHH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.28
Rot. Bonds1

About 4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide

4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide (PubChem CID 115269781) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
PubChem CID115269781
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ccccc2)CCC1N
InChIInChI=1S/C14H21N3O/c1-14(2)10-17(9-8-12(14)15)13(18)16-11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3,(H,16,18)
InChIKeyWVJSRCPBNXPJHH-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120819466
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
CID 120774507
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
CID 120816946
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide
CID 120776246
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide (CID 115269781) is 4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide is CC1(C)CN(C(=O)Nc2ccccc2)CCC1N.
What is the InChIKey of 4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide?
The InChIKey is WVJSRCPBNXPJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)10-17(9-8-12(14)15)13(18)16-11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide?
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 115269781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).