1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

C19H24N4O — CID 95629246

IUPAC1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESC[C@@H](CN1CCC(C(=O)Nc2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(16-6-3-2-4-7-16)14-23-12-8-17(9-13-23)18(24)22-19-20-10-5-11-21-19/h2-7,10-11,15,17H,8-9,12-14H2,1H3,(H,20,21,22,24)/t15-/m0/s1
InChIKeyRTPFIULIDLIERV-HNNXBMFYSA-N
MW324.43 g/mol
LogP2.93
Rot. Bonds5

About 1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 95629246) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID95629246
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESC[C@@H](CN1CCC(C(=O)Nc2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(16-6-3-2-4-7-16)14-23-12-8-17(9-13-23)18(24)22-19-20-10-5-11-21-19/h2-7,10-11,15,17H,8-9,12-14H2,1H3,(H,20,21,22,24)/t15-/m0/s1
InChIKeyRTPFIULIDLIERV-HNNXBMFYSA-N
XLogP2.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479402
1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479408
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 97313014
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92581935
N-[[1-(2-phenylpropyl)piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 110226658
2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
CID 92581928
1-(2,2-diphenylethyl)-N-hydroxypiperidine-4-carboxamide
CID 155146350
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 95629246) is 1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is C[C@@H](CN1CCC(C(=O)Nc2ncccn2)CC1)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is RTPFIULIDLIERV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15(16-6-3-2-4-7-16)14-23-12-8-17(9-13-23)18(24)22-19-20-10-5-11-21-19/h2-7,10-11,15,17H,8-9,12-14H2,1H3,(H,20,21,22,24)/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 95629246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).