N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide

C19H31N5O2 — CID 56710094

IUPACN-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(C2CCNCC2)cc(N2CCCC(C(=O)NCCCO)C2)n1
InChIInChI=1S/C19H31N5O2/c1-14-22-17(15-5-8-20-9-6-15)12-18(23-14)24-10-2-4-16(13-24)19(26)21-7-3-11-25/h12,15-16,20,25H,2-11,13H2,1H3,(H,21,26)
InChIKeyDREMAJOEQDMARM-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.97
Rot. Bonds6

About N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide

N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 56710094) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID56710094
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(C2CCNCC2)cc(N2CCCC(C(=O)NCCCO)C2)n1
InChIInChI=1S/C19H31N5O2/c1-14-22-17(15-5-8-20-9-6-15)12-18(23-14)24-10-2-4-16(13-24)19(26)21-7-3-11-25/h12,15-16,20,25H,2-11,13H2,1H3,(H,21,26)
InChIKeyDREMAJOEQDMARM-UHFFFAOYSA-N
XLogP0.97
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-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-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 56710094) is N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc(C2CCNCC2)cc(N2CCCC(C(=O)NCCCO)C2)n1.
What is the InChIKey of N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is DREMAJOEQDMARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14-22-17(15-5-8-20-9-6-15)12-18(23-14)24-10-2-4-16(13-24)19(26)21-7-3-11-25/h12,15-16,20,25H,2-11,13H2,1H3,(H,21,26).
What are the key properties of N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide?
N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56710094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).