(3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

C16H27N5O — CID 164633315

IUPAC(3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCn1cnnc1C[C@H]1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H27N5O/c1-20-12-17-19-15(20)10-13-6-5-9-21(11-13)16(22)18-14-7-3-2-4-8-14/h12-14H,2-11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyPTSIPVBCAKWOJS-CYBMUJFWSA-N
MW305.43 g/mol
LogP2.11
Rot. Bonds3

About (3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

(3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 164633315) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID164633315
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCn1cnnc1C[C@H]1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H27N5O/c1-20-12-17-19-15(20)10-13-6-5-9-21(11-13)16(22)18-14-7-3-2-4-8-14/h12-14H,2-11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyPTSIPVBCAKWOJS-CYBMUJFWSA-N
XLogP2.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (CID 164633315) is (3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is Cn1cnnc1C[C@H]1CCCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of (3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is PTSIPVBCAKWOJS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5O/c1-20-12-17-19-15(20)10-13-6-5-9-21(11-13)16(22)18-14-7-3-2-4-8-14/h12-14H,2-11H2,1H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
(3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 164633315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).