(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide

C19H27N3O3 — CID 97123681

IUPAC(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
SMILESCOC1(c2ccccc2)CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-25-19(16-7-3-2-4-8-16)9-12-21(13-10-19)17(23)15-6-5-11-22(14-15)18(20)24/h2-4,7-8,15H,5-6,9-14H2,1H3,(H2,20,24)/t15-/m0/s1
InChIKeyFGQISWVINSXDPZ-HNNXBMFYSA-N
MW345.44 g/mol
LogP1.94
Rot. Bonds3

About (3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide

(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide (PubChem CID 97123681) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
PubChem CID97123681
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
SMILESCOC1(c2ccccc2)CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-25-19(16-7-3-2-4-8-16)9-12-21(13-10-19)17(23)15-6-5-11-22(14-15)18(20)24/h2-4,7-8,15H,5-6,9-14H2,1H3,(H2,20,24)/t15-/m0/s1
InChIKeyFGQISWVINSXDPZ-HNNXBMFYSA-N
XLogP1.94
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97128394
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146087913
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide (CID 97123681) is (3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide is COC1(c2ccccc2)CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1.
What is the InChIKey of (3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is FGQISWVINSXDPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-19(16-7-3-2-4-8-16)9-12-21(13-10-19)17(23)15-6-5-11-22(14-15)18(20)24/h2-4,7-8,15H,5-6,9-14H2,1H3,(H2,20,24)/t15-/m0/s1.
What are the key properties of (3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 97123681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).