N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide

C18H24ClN5O2 — CID 31125998

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide
SMILESCOCc1cn(C2CCN(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)nn1
InChIInChI=1S/C18H24ClN5O2/c1-13(14-3-5-15(19)6-4-14)20-18(25)23-9-7-17(8-10-23)24-11-16(12-26-2)21-22-24/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,20,25)/t13-/m1/s1
InChIKeyAWEHLMUOIYAAEI-CYBMUJFWSA-N
MW377.88 g/mol
LogP3.19
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide (PubChem CID 31125998) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide
PubChem CID31125998
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide
SMILESCOCc1cn(C2CCN(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)nn1
InChIInChI=1S/C18H24ClN5O2/c1-13(14-3-5-15(19)6-4-14)20-18(25)23-9-7-17(8-10-23)24-11-16(12-26-2)21-22-24/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,20,25)/t13-/m1/s1
InChIKeyAWEHLMUOIYAAEI-CYBMUJFWSA-N
XLogP3.19
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide (CID 31125998) is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide is COCc1cn(C2CCN(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)nn1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide?
The InChIKey is AWEHLMUOIYAAEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-13(14-3-5-15(19)6-4-14)20-18(25)23-9-7-17(8-10-23)24-11-16(12-26-2)21-22-24/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,20,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[4-(methoxymethyl)triazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 31125998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).