N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide

C19H34N6O — CID 91921062

IUPACN-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide
SMILESCc1nc([C@H]2CCN(CC3CCCCC3)C[C@H]2NC(=O)CN(C)C)n[nH]1
InChIInChI=1S/C19H34N6O/c1-14-20-19(23-22-14)16-9-10-25(11-15-7-5-4-6-8-15)12-17(16)21-18(26)13-24(2)3/h15-17H,4-13H2,1-3H3,(H,21,26)(H,20,22,23)/t16-,17+/m0/s1
InChIKeyUILVOSYFNDBVGO-DLBZAZTESA-N
MW362.52 g/mol
LogP1.53
Rot. Bonds6

About N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide

N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide (PubChem CID 91921062) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide
PubChem CID91921062
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC NameN-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide
SMILESCc1nc([C@H]2CCN(CC3CCCCC3)C[C@H]2NC(=O)CN(C)C)n[nH]1
InChIInChI=1S/C19H34N6O/c1-14-20-19(23-22-14)16-9-10-25(11-15-7-5-4-6-8-15)12-17(16)21-18(26)13-24(2)3/h15-17H,4-13H2,1-3H3,(H,21,26)(H,20,22,23)/t16-,17+/m0/s1
InChIKeyUILVOSYFNDBVGO-DLBZAZTESA-N
XLogP1.53
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide (CID 91921062) is N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide is Cc1nc([C@H]2CCN(CC3CCCCC3)C[C@H]2NC(=O)CN(C)C)n[nH]1.
What is the InChIKey of N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide?
The InChIKey is UILVOSYFNDBVGO-DLBZAZTESA-N. The full InChI is InChI=1S/C19H34N6O/c1-14-20-19(23-22-14)16-9-10-25(11-15-7-5-4-6-8-15)12-17(16)21-18(26)13-24(2)3/h15-17H,4-13H2,1-3H3,(H,21,26)(H,20,22,23)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide?
N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide has a molecular weight of 362.52 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-(cyclohexylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 91921062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).