N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

C18H31N5O — CID 46999803

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C18H31N5O/c24-18(9-5-11-23-15-19-14-20-23)21-17-8-4-10-22(13-17)12-16-6-2-1-3-7-16/h14-17H,1-13H2,(H,21,24)
InChIKeyQWUTZGCCCZNUET-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.22
Rot. Bonds7

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 46999803) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID46999803
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C18H31N5O/c24-18(9-5-11-23-15-19-14-20-23)21-17-8-4-10-22(13-17)12-16-6-2-1-3-7-16/h14-17H,1-13H2,(H,21,24)
InChIKeyQWUTZGCCCZNUET-UHFFFAOYSA-N
XLogP2.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide (CID 46999803) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is QWUTZGCCCZNUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c24-18(9-5-11-23-15-19-14-20-23)21-17-8-4-10-22(13-17)12-16-6-2-1-3-7-16/h14-17H,1-13H2,(H,21,24).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 333.48 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 46999803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).