(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide

C17H26N2O2 — CID 81119800

IUPAC(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)[C@H]2CCCNC2)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)21-16-8-4-6-14(10-16)13(3)19-17(20)15-7-5-9-18-11-15/h4,6,8,10,12-13,15,18H,5,7,9,11H2,1-3H3,(H,19,20)/t13?,15-/m0/s1
InChIKeyQEZNFKMDJJXBKG-WUJWULDRSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds5

About (3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide

(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 81119800) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID81119800
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)[C@H]2CCCNC2)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)21-16-8-4-6-14(10-16)13(3)19-17(20)15-7-5-9-18-11-15/h4,6,8,10,12-13,15,18H,5,7,9,11H2,1-3H3,(H,19,20)/t13?,15-/m0/s1
InChIKeyQEZNFKMDJJXBKG-WUJWULDRSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119301559
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119285498
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide (CID 81119800) is (3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide is CC(C)Oc1cccc(C(C)NC(=O)[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is QEZNFKMDJJXBKG-WUJWULDRSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)21-16-8-4-6-14(10-16)13(3)19-17(20)15-7-5-9-18-11-15/h4,6,8,10,12-13,15,18H,5,7,9,11H2,1-3H3,(H,19,20)/t13?,15-/m0/s1.
What are the key properties of (3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide?
(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81119800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).