3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide

C19H32N6O — CID 119902308

IUPAC3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
SMILESCC(CC(=O)NCCN1CCN(c2ncccn2)CC1)C1CCNCC1
InChIInChI=1S/C19H32N6O/c1-16(17-3-7-20-8-4-17)15-18(26)21-9-10-24-11-13-25(14-12-24)19-22-5-2-6-23-19/h2,5-6,16-17,20H,3-4,7-15H2,1H3,(H,21,26)
InChIKeyUWIGYKKZKCLCJT-UHFFFAOYSA-N
MW360.51 g/mol
LogP0.74
Rot. Bonds7

About 3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide

3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide (PubChem CID 119902308) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
PubChem CID119902308
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
SMILESCC(CC(=O)NCCN1CCN(c2ncccn2)CC1)C1CCNCC1
InChIInChI=1S/C19H32N6O/c1-16(17-3-7-20-8-4-17)15-18(26)21-9-10-24-11-13-25(14-12-24)19-22-5-2-6-23-19/h2,5-6,16-17,20H,3-4,7-15H2,1H3,(H,21,26)
InChIKeyUWIGYKKZKCLCJT-UHFFFAOYSA-N
XLogP0.74
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 119902288
3-piperidin-4-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 119827988
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119741133
3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide
CID 119854588
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868921
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119785718
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 119902310
(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 94816783
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide (CID 119902308) is 3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide is CC(CC(=O)NCCN1CCN(c2ncccn2)CC1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide?
The InChIKey is UWIGYKKZKCLCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-16(17-3-7-20-8-4-17)15-18(26)21-9-10-24-11-13-25(14-12-24)19-22-5-2-6-23-19/h2,5-6,16-17,20H,3-4,7-15H2,1H3,(H,21,26).
What are the key properties of 3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide?
3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide has a molecular weight of 360.51 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 119902308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).