(2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

C18H28N6O — CID 129323400

IUPAC(2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C1CCN(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C18H28N6O/c19-18(25)15-4-3-9-24(15)14-5-10-23(11-6-14)17-12-16(20-13-21-17)22-7-1-2-8-22/h12-15H,1-11H2,(H2,19,25)/t15-/m0/s1
InChIKeyKBXDAVGQZVFHJY-HNNXBMFYSA-N
MW344.46 g/mol
LogP1.00
Rot. Bonds4

About (2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 129323400) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID129323400
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name(2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C1CCN(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C18H28N6O/c19-18(25)15-4-3-9-24(15)14-5-10-23(11-6-14)17-12-16(20-13-21-17)22-7-1-2-8-22/h12-15H,1-11H2,(H2,19,25)/t15-/m0/s1
InChIKeyKBXDAVGQZVFHJY-HNNXBMFYSA-N
XLogP1.00
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-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)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 129323400) is (2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C1CCN(c2cc(N3CCCC3)ncn2)CC1.
What is the InChIKey of (2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is KBXDAVGQZVFHJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N6O/c19-18(25)15-4-3-9-24(15)14-5-10-23(11-6-14)17-12-16(20-13-21-17)22-7-1-2-8-22/h12-15H,1-11H2,(H2,19,25)/t15-/m0/s1.
What are the key properties of (2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 129323400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).