2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

C17H19ClN4O — CID 42592251

IUPAC2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)N[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H19ClN4O/c18-14-5-1-4-13(10-14)11-16(23)21-15-6-2-9-22(12-15)17-19-7-3-8-20-17/h1,3-5,7-8,10,15H,2,6,9,11-12H2,(H,21,23)/t15-/m0/s1
InChIKeyRRWRBFSNJTYOPI-HNNXBMFYSA-N
MW330.82 g/mol
LogP2.46
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (PubChem CID 42592251) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
PubChem CID42592251
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)N[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H19ClN4O/c18-14-5-1-4-13(10-14)11-16(23)21-15-6-2-9-22(12-15)17-19-7-3-8-20-17/h1,3-5,7-8,10,15H,2,6,9,11-12H2,(H,21,23)/t15-/m0/s1
InChIKeyRRWRBFSNJTYOPI-HNNXBMFYSA-N
XLogP2.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513
1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide
CID 55924269
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 125167855
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802771
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (CID 42592251) is 2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is O=C(Cc1cccc(Cl)c1)N[C@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The InChIKey is RRWRBFSNJTYOPI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-14-5-1-4-13(10-14)11-16(23)21-15-6-2-9-22(12-15)17-19-7-3-8-20-17/h1,3-5,7-8,10,15H,2,6,9,11-12H2,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide has a molecular weight of 330.82 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is sourced from PubChem (CID 42592251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).