N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride

C17H27ClN2O — CID 119269407

IUPACN-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(C)NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12(2)14-6-8-15(9-7-14)13(3)19-17(20)16-5-4-10-18-11-16;/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3,(H,19,20);1H
InChIKeyNVTBHQBHCDTJPU-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.41
Rot. Bonds4

About N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride

N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119269407) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119269407
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(C)NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12(2)14-6-8-15(9-7-14)13(3)19-17(20)16-5-4-10-18-11-16;/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3,(H,19,20);1H
InChIKeyNVTBHQBHCDTJPU-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 119318070
(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
CID 81118919
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119269407) is N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride is CC(C)c1ccc(C(C)NC(=O)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NVTBHQBHCDTJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12(2)14-6-8-15(9-7-14)13(3)19-17(20)16-5-4-10-18-11-16;/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119269407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).