N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide

C19H33N5O — CID 95321523

IUPACN-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCc1nc(C)n(C[C@H]2CCCN(CCC(=O)NC3CCCCC3)C2)n1
InChIInChI=1S/C19H33N5O/c1-15-20-16(2)24(22-15)14-17-7-6-11-23(13-17)12-10-19(25)21-18-8-4-3-5-9-18/h17-18H,3-14H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyYCWYVLAQVSAUAJ-KRWDZBQOSA-N
MW347.51 g/mol
LogP2.45
Rot. Bonds6

About N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide

N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide (PubChem CID 95321523) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
PubChem CID95321523
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCc1nc(C)n(C[C@H]2CCCN(CCC(=O)NC3CCCCC3)C2)n1
InChIInChI=1S/C19H33N5O/c1-15-20-16(2)24(22-15)14-17-7-6-11-23(13-17)12-10-19(25)21-18-8-4-3-5-9-18/h17-18H,3-14H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyYCWYVLAQVSAUAJ-KRWDZBQOSA-N
XLogP2.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide (CID 95321523) is N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide is Cc1nc(C)n(C[C@H]2CCCN(CCC(=O)NC3CCCCC3)C2)n1.
What is the InChIKey of N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide?
The InChIKey is YCWYVLAQVSAUAJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33N5O/c1-15-20-16(2)24(22-15)14-17-7-6-11-23(13-17)12-10-19(25)21-18-8-4-3-5-9-18/h17-18H,3-14H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide?
N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide has a molecular weight of 347.51 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 95321523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).