2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

C18H29N5O — CID 60603964

IUPAC2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ncccn2)CC1)N(C)CC1CCCC1
InChIInChI=1S/C18H29N5O/c1-15(21(2)14-16-6-3-4-7-16)17(24)22-10-12-23(13-11-22)18-19-8-5-9-20-18/h5,8-9,15-16H,3-4,6-7,10-14H2,1-2H3
InChIKeyZBGBIDRACDRJTO-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.64
Rot. Bonds5

About 2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 60603964) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID60603964
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ncccn2)CC1)N(C)CC1CCCC1
InChIInChI=1S/C18H29N5O/c1-15(21(2)14-16-6-3-4-7-16)17(24)22-10-12-23(13-11-22)18-19-8-5-9-20-18/h5,8-9,15-16H,3-4,6-7,10-14H2,1-2H3
InChIKeyZBGBIDRACDRJTO-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[benzyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 32727669
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
(2S)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 102428225
N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]cyclohexanecarboxamide
CID 18135389
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide
CID 60598944
3-[methyl-(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61186045
2-[methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-N-propan-2-ylacetamide
CID 8914218
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9445663

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 60603964) is 2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCN(c2ncccn2)CC1)N(C)CC1CCCC1.
What is the InChIKey of 2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is ZBGBIDRACDRJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-15(21(2)14-16-6-3-4-7-16)17(24)22-10-12-23(13-11-22)18-19-8-5-9-20-18/h5,8-9,15-16H,3-4,6-7,10-14H2,1-2H3.
What are the key properties of 2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 331.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 60603964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).