N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

C17H25N5O — CID 53146152

IUPACN-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C17H25N5O/c23-16(20-14-3-4-14)13-5-9-21(10-6-13)15-11-18-17(19-12-15)22-7-1-2-8-22/h11-14H,1-10H2,(H,20,23)
InChIKeyKRWGORCJHIBDPP-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.57
Rot. Bonds4

About N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53146152) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53146152
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C17H25N5O/c23-16(20-14-3-4-14)13-5-9-21(10-6-13)15-11-18-17(19-12-15)22-7-1-2-8-22/h11-14H,1-10H2,(H,20,23)
InChIKeyKRWGORCJHIBDPP-UHFFFAOYSA-N
XLogP1.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-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 N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53146152) is N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1.
What is the InChIKey of N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is KRWGORCJHIBDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c23-16(20-14-3-4-14)13-5-9-21(10-6-13)15-11-18-17(19-12-15)22-7-1-2-8-22/h11-14H,1-10H2,(H,20,23).
What are the key properties of N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53146152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).