1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

C22H33N3O — CID 97204702

IUPAC1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1ccnc([C@H](NC(=O)C2CCN(C3CCCCC3)CC2)C2CC2)c1
InChIInChI=1S/C22H33N3O/c1-16-9-12-23-20(15-16)21(17-7-8-17)24-22(26)18-10-13-25(14-11-18)19-5-3-2-4-6-19/h9,12,15,17-19,21H,2-8,10-11,13-14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyXXJDBHOGNGHCKC-OAQYLSRUSA-N
MW355.53 g/mol
LogP4.00
Rot. Bonds5

About 1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 97204702) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID97204702
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1ccnc([C@H](NC(=O)C2CCN(C3CCCCC3)CC2)C2CC2)c1
InChIInChI=1S/C22H33N3O/c1-16-9-12-23-20(15-16)21(17-7-8-17)24-22(26)18-10-13-25(14-11-18)19-5-3-2-4-6-19/h9,12,15,17-19,21H,2-8,10-11,13-14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyXXJDBHOGNGHCKC-OAQYLSRUSA-N
XLogP4.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (CID 97204702) is 1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is Cc1ccnc([C@H](NC(=O)C2CCN(C3CCCCC3)CC2)C2CC2)c1.
What is the InChIKey of 1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is XXJDBHOGNGHCKC-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H33N3O/c1-16-9-12-23-20(15-16)21(17-7-8-17)24-22(26)18-10-13-25(14-11-18)19-5-3-2-4-6-19/h9,12,15,17-19,21H,2-8,10-11,13-14H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of 1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 97204702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).