(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide

C21H26N2O2 — CID 118547816

IUPAC(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-25-20(18-10-6-3-7-11-18)21(24)22-19-12-14-23(15-13-19)16-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyYWMRWFQAMVQAPZ-FQEVSTJZSA-N
MW338.45 g/mol
LogP3.15
Rot. Bonds6

About (2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide

(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide (PubChem CID 118547816) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
PubChem CID118547816
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-25-20(18-10-6-3-7-11-18)21(24)22-19-12-14-23(15-13-19)16-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyYWMRWFQAMVQAPZ-FQEVSTJZSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
CID 131950375
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide (CID 118547816) is (2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide is CO[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is YWMRWFQAMVQAPZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20(18-10-6-3-7-11-18)21(24)22-19-12-14-23(15-13-19)16-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of (2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide?
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 338.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 118547816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).