1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

C20H32N6O2 — CID 55931675

IUPAC1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C20H32N6O2/c1-2-4-18(27)25-10-5-17(6-11-25)19(28)21-9-12-24-13-15-26(16-14-24)20-22-7-3-8-23-20/h3,7-8,17H,2,4-6,9-16H2,1H3,(H,21,28)
InChIKeyHTSSOXXJFJPIEQ-UHFFFAOYSA-N
MW388.52 g/mol
LogP0.75
Rot. Bonds7

About 1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 55931675) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID55931675
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC Name1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C20H32N6O2/c1-2-4-18(27)25-10-5-17(6-11-25)19(28)21-9-12-24-13-15-26(16-14-24)20-22-7-3-8-23-20/h3,7-8,17H,2,4-6,9-16H2,1H3,(H,21,28)
InChIKeyHTSSOXXJFJPIEQ-UHFFFAOYSA-N
XLogP0.75
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
1-(4-aminopiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 39311838
1-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 55933323
N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 23544069
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111206186
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 119902310
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide
CID 112994704
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 55933319
1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 131917365
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (CID 55931675) is 1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of 1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is HTSSOXXJFJPIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-2-4-18(27)25-10-5-17(6-11-25)19(28)21-9-12-24-13-15-26(16-14-24)20-22-7-3-8-23-20/h3,7-8,17H,2,4-6,9-16H2,1H3,(H,21,28).
What are the key properties of 1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55931675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).