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

C18H29N5O — CID 87052208

IUPACN-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C18H29N5O/c24-18(20-15-6-2-1-3-7-15)23-11-5-4-8-16(23)17-21-19-13-22(17)12-14-9-10-14/h13-16H,1-12H2,(H,20,24)
InChIKeyHRVQPSBNGOFTNE-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.26
Rot. Bonds4

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

N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide (PubChem CID 87052208) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
PubChem CID87052208
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C18H29N5O/c24-18(20-15-6-2-1-3-7-15)23-11-5-4-8-16(23)17-21-19-13-22(17)12-14-9-10-14/h13-16H,1-12H2,(H,20,24)
InChIKeyHRVQPSBNGOFTNE-UHFFFAOYSA-N
XLogP3.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide (CID 87052208) is N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The InChIKey is HRVQPSBNGOFTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c24-18(20-15-6-2-1-3-7-15)23-11-5-4-8-16(23)17-21-19-13-22(17)12-14-9-10-14/h13-16H,1-12H2,(H,20,24).
What are the key properties of N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 87052208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).