(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C23H26N4O — CID 92613321

IUPAC(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)[C@@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H26N4O/c28-23(22(20-10-3-1-4-11-20)26-14-5-2-6-15-26)25-21-12-7-9-19(17-21)18-27-16-8-13-24-27/h1,3-4,7-13,16-17,22H,2,5-6,14-15,18H2,(H,25,28)/t22-/m1/s1
InChIKeySKCLQKSIVCTTOH-JOCHJYFZSA-N
MW374.49 g/mol
LogP4.10
Rot. Bonds6

About (2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 92613321) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID92613321
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)[C@@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H26N4O/c28-23(22(20-10-3-1-4-11-20)26-14-5-2-6-15-26)25-21-12-7-9-19(17-21)18-27-16-8-13-24-27/h1,3-4,7-13,16-17,22H,2,5-6,14-15,18H2,(H,25,28)/t22-/m1/s1
InChIKeySKCLQKSIVCTTOH-JOCHJYFZSA-N
XLogP4.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-2-morpholin-4-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46977302
N-[3-(benzenesulfonylmethyl)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86934038
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
1-[[3-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 56504793
2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 87039923
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86837888
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
3-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 55610798

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of (2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 92613321) is (2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for (2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for (2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is O=C(Nc1cccc(Cn2cccn2)c1)[C@@H](c1ccccc1)N1CCCCC1.
What is the InChIKey of (2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is SKCLQKSIVCTTOH-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(22(20-10-3-1-4-11-20)26-14-5-2-6-15-26)25-21-12-7-9-19(17-21)18-27-16-8-13-24-27/h1,3-4,7-13,16-17,22H,2,5-6,14-15,18H2,(H,25,28)/t22-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 92613321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).