(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide

C18H26N2O3 — CID 26406225

IUPAC(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C18H26N2O3/c1-4-19-18(22)20-10-6-8-15(12-20)17(21)14-7-5-9-16(11-14)23-13(2)3/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyWDLJSGJSTDBSJP-HNNXBMFYSA-N
MW318.42 g/mol
LogP3.10
Rot. Bonds5

About (3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide

(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide (PubChem CID 26406225) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
PubChem CID26406225
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C18H26N2O3/c1-4-19-18(22)20-10-6-8-15(12-20)17(21)14-7-5-9-16(11-14)23-13(2)3/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyWDLJSGJSTDBSJP-HNNXBMFYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 45250289
ethyl 2-[[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]amino]acetate
CID 25377875
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
[(3S)-1-(3-ethynylbenzoyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26409527
[(3R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 95717856
[(3S)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 95717857
[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 24791987
N-cyclopropyl-2-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]acetamide
CID 56869733
1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 42115571
[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 51510402
[1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45198049
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide (CID 26406225) is (3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide is CCNC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1.
What is the InChIKey of (3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide?
The InChIKey is WDLJSGJSTDBSJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-19-18(22)20-10-6-8-15(12-20)17(21)14-7-5-9-16(11-14)23-13(2)3/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide?
(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 26406225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).