propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate

C21H32N4O3 — CID 95543017

IUPACpropyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1
InChIInChI=1S/C21H32N4O3/c1-2-14-28-21(27)24-12-8-19(9-13-24)25-11-5-6-17(16-25)20(26)23-15-18-7-3-4-10-22-18/h3-4,7,10,17,19H,2,5-6,8-9,11-16H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyLTHKYMIDDHWLRL-QGZVFWFLSA-N
MW388.51 g/mol
LogP2.42
Rot. Bonds6

About propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate

propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 95543017) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID95543017
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Namepropyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1
InChIInChI=1S/C21H32N4O3/c1-2-14-28-21(27)24-12-8-19(9-13-24)25-11-5-6-17(16-25)20(26)23-15-18-7-3-4-10-22-18/h3-4,7,10,17,19H,2,5-6,8-9,11-16H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyLTHKYMIDDHWLRL-QGZVFWFLSA-N
XLogP2.42
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate 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)-1-(1-pentanoylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95435827
1-(1-pentanoylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56863441
(3R)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96577754
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56869421
(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95563492
(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
(3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579409
(3R)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96572670
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95556400
(3R)-1-[1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96582024
(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580711
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate (CID 95543017) is propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate is CCCOC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1.
What is the InChIKey of propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is LTHKYMIDDHWLRL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-2-14-28-21(27)24-12-8-19(9-13-24)25-11-5-6-17(16-25)20(26)23-15-18-7-3-4-10-22-18/h3-4,7,10,17,19H,2,5-6,8-9,11-16H2,1H3,(H,23,26)/t17-/m1/s1.
What are the key properties of propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate?
propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 95543017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).