3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide

C19H29N3O — CID 119889662

IUPAC3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCC(N)C1)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H29N3O/c1-21(19(23)15-7-5-8-16(20)13-15)18-11-6-12-22(14-18)17-9-3-2-4-10-17/h2-4,9-10,15-16,18H,5-8,11-14,20H2,1H3
InChIKeyDDBJFQSCMDPSQV-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.63
Rot. Bonds3

About 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide

3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 119889662) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
PubChem CID119889662
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCC(N)C1)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H29N3O/c1-21(19(23)15-7-5-8-16(20)13-15)18-11-6-12-22(14-18)17-9-3-2-4-10-17/h2-4,9-10,15-16,18H,5-8,11-14,20H2,1H3
InChIKeyDDBJFQSCMDPSQV-UHFFFAOYSA-N
XLogP2.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide (CID 119889662) is 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide is CN(C(=O)C1CCCC(N)C1)C1CCCN(c2ccccc2)C1.
What is the InChIKey of 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is DDBJFQSCMDPSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-21(19(23)15-7-5-8-16(20)13-15)18-11-6-12-22(14-18)17-9-3-2-4-10-17/h2-4,9-10,15-16,18H,5-8,11-14,20H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide?
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119889662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).