1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one

C17H27N5O — CID 10358464

IUPAC1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one
SMILESO=C1CCCCN1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H27N5O/c23-16-6-1-2-10-21(16)11-4-3-9-20-12-14-22(15-13-20)17-18-7-5-8-19-17/h5,7-8H,1-4,6,9-15H2
InChIKeySMQGUJZTIZNFQY-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.39
Rot. Bonds6

About 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one

1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one (PubChem CID 10358464) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one
PubChem CID10358464
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one
SMILESO=C1CCCCN1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H27N5O/c23-16-6-1-2-10-21(16)11-4-3-9-20-12-14-22(15-13-20)17-18-7-5-8-19-17/h5,7-8H,1-4,6,9-15H2
InChIKeySMQGUJZTIZNFQY-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[3-(2-oxoazepan-1-yl)propyl]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111347609
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-ethyl-N'-[3-(2-oxoazepan-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111208028
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azaspiro[5.6]dodecane-2,4-dione
CID 143023174
2-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one
CID 14856172
2-bromo-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
CID 19881120
1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479953
3-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
CID 67792354
N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205126
3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.0]heptane-2,4-dione;hydrochloride
CID 23315265
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54387885

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one?
The IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one (CID 10358464) is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one?
The canonical SMILES for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one is O=C1CCCCN1CCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one?
The InChIKey is SMQGUJZTIZNFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-16-6-1-2-10-21(16)11-4-3-9-20-12-14-22(15-13-20)17-18-7-5-8-19-17/h5,7-8H,1-4,6,9-15H2.
What are the key properties of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one?
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one has a molecular weight of 317.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one is sourced from PubChem (CID 10358464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).