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

C17H26N2O — CID 43707174

IUPACN-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)14-4-6-15(7-5-14)13(3)19-17(20)16-8-10-18-11-9-16/h4-7,12-13,16,18H,8-11H2,1-3H3,(H,19,20)
InChIKeyCMNOLCLWFQACNL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.99
Rot. Bonds4

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

N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 43707174) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID43707174
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)14-4-6-15(7-5-14)13(3)19-17(20)16-8-10-18-11-9-16/h4-7,12-13,16,18H,8-11H2,1-3H3,(H,19,20)
InChIKeyCMNOLCLWFQACNL-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287627
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide (CID 43707174) is N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide is CC(C)c1ccc(C(C)NC(=O)C2CCNCC2)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is CMNOLCLWFQACNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)14-4-6-15(7-5-14)13(3)19-17(20)16-8-10-18-11-9-16/h4-7,12-13,16,18H,8-11H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide?
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.99, 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-4-carboxamide is sourced from PubChem (CID 43707174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).