(2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide

C17H25N5O — CID 95711110

IUPAC(2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CN(c2nccc(C3CCCC3)n2)CCN1
InChIInChI=1S/C17H25N5O/c23-16(20-13-5-6-13)15-11-22(10-9-18-15)17-19-8-7-14(21-17)12-3-1-2-4-12/h7-8,12-13,15,18H,1-6,9-11H2,(H,20,23)/t15-/m0/s1
InChIKeyDQYAUHZSMSRQLL-HNNXBMFYSA-N
MW315.42 g/mol
LogP1.19
Rot. Bonds4

About (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide

(2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide (PubChem CID 95711110) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide
PubChem CID95711110
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CN(c2nccc(C3CCCC3)n2)CCN1
InChIInChI=1S/C17H25N5O/c23-16(20-13-5-6-13)15-11-22(10-9-18-15)17-19-8-7-14(21-17)12-3-1-2-4-12/h7-8,12-13,15,18H,1-6,9-11H2,(H,20,23)/t15-/m0/s1
InChIKeyDQYAUHZSMSRQLL-HNNXBMFYSA-N
XLogP1.19
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 95728177
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727
(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 125018385
N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086728
N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide
CID 56918333
(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride
CID 119857927
4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424
N-[1-(4-cyclopentylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-hydroxyacetamide
CID 156603239
(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 97169312
N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43700130
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
CID 116900754

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide?
The IUPAC name of (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide (CID 95711110) is (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide is O=C(NC1CC1)[C@@H]1CN(c2nccc(C3CCCC3)n2)CCN1.
What is the InChIKey of (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide?
The InChIKey is DQYAUHZSMSRQLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5O/c23-16(20-13-5-6-13)15-11-22(10-9-18-15)17-19-8-7-14(21-17)12-3-1-2-4-12/h7-8,12-13,15,18H,1-6,9-11H2,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide?
(2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide is sourced from PubChem (CID 95711110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).