1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C22H36N4O — CID 26403658

IUPAC1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)(C)CN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1
InChIInChI=1S/C22H36N4O/c1-22(2,3)17-25-11-8-20(9-12-25)26-13-6-19(7-14-26)21(27)24-16-18-5-4-10-23-15-18/h4-5,10,15,19-20H,6-9,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyMQNLUNVILKPEIA-UHFFFAOYSA-N
MW372.56 g/mol
LogP2.92
Rot. Bonds5

About 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 26403658) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID26403658
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)(C)CN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1
InChIInChI=1S/C22H36N4O/c1-22(2,3)17-25-11-8-20(9-12-25)26-13-6-19(7-14-26)21(27)24-16-18-5-4-10-23-15-18/h4-5,10,15,19-20H,6-9,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyMQNLUNVILKPEIA-UHFFFAOYSA-N
XLogP2.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)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

Related Compounds

1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 28641556
1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 31042688
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
1-(1-pentan-3-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 25288397
1-[1-[(2R)-4-methylpentan-2-yl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 31017449
1-[1-(3-methylpentanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 45230403
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95539325
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 56864966

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 26403658) is 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CC(C)(C)CN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1.
What is the InChIKey of 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MQNLUNVILKPEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-22(2,3)17-25-11-8-20(9-12-25)26-13-6-19(7-14-26)21(27)24-16-18-5-4-10-23-15-18/h4-5,10,15,19-20H,6-9,11-14,16-17H2,1-3H3,(H,24,27).
What are the key properties of 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 26403658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).