4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide

C19H23ClN4O — CID 70737771

IUPAC4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H23ClN4O/c20-16-9-7-15(8-10-16)4-1-6-18(25)23-17-5-2-13-24(14-17)19-21-11-3-12-22-19/h3,7-12,17H,1-2,4-6,13-14H2,(H,23,25)
InChIKeyBSWYPZSPRLGHOG-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.24
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide

4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide (PubChem CID 70737771) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
PubChem CID70737771
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H23ClN4O/c20-16-9-7-15(8-10-16)4-1-6-18(25)23-17-5-2-13-24(14-17)19-21-11-3-12-22-19/h3,7-12,17H,1-2,4-6,13-14H2,(H,23,25)
InChIKeyBSWYPZSPRLGHOG-UHFFFAOYSA-N
XLogP3.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide
CID 125165028
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99740951
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 47047200
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
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 55803550
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 131928797
4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide
CID 55857815

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide (CID 70737771) is 4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide is O=C(CCCc1ccc(Cl)cc1)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The InChIKey is BSWYPZSPRLGHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-16-9-7-15(8-10-16)4-1-6-18(25)23-17-5-2-13-24(14-17)19-21-11-3-12-22-19/h3,7-12,17H,1-2,4-6,13-14H2,(H,23,25).
What are the key properties of 4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide has a molecular weight of 358.87 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide is sourced from PubChem (CID 70737771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).