(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide

C18H29N5O — CID 126445256

IUPAC(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCC[C@@H](c2ccncn2)C1)N1CCCC1
InChIInChI=1S/C18H29N5O/c1-18(2,23-10-3-4-11-23)13-20-17(24)22-9-5-6-15(12-22)16-7-8-19-14-21-16/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyLJUSOMQHTTYZHO-OAHLLOKOSA-N
MW331.46 g/mol
LogP2.24
Rot. Bonds4

About (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide

(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide (PubChem CID 126445256) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
PubChem CID126445256
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCC[C@@H](c2ccncn2)C1)N1CCCC1
InChIInChI=1S/C18H29N5O/c1-18(2,23-10-3-4-11-23)13-20-17(24)22-9-5-6-15(12-22)16-7-8-19-14-21-16/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyLJUSOMQHTTYZHO-OAHLLOKOSA-N
XLogP2.24
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-N-[4-(azepan-1-yl)butyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126437475
2-methyl-1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-pyrrol-1-ylpropan-1-one
CID 131901880
N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide
CID 110096368
(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126440384
2-methyl-2-(4-methylphenyl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 110114958
(3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126450449
(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124996356
3-(2-methylpyrazol-3-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 124989317
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
2-(4-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124965599
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124964626

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide (CID 126445256) is (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide is CC(C)(CNC(=O)N1CCC[C@@H](c2ccncn2)C1)N1CCCC1.
What is the InChIKey of (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The InChIKey is LJUSOMQHTTYZHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O/c1-18(2,23-10-3-4-11-23)13-20-17(24)22-9-5-6-15(12-22)16-7-8-19-14-21-16/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 126445256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).