(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

Analyze (2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).