(2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

C19H27N5O — CID 125176400

IUPAC(2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](Cn1cncn1)C(=O)NCC1(c2ccccc2)CCN(C)CC1
InChIInChI=1S/C19H27N5O/c1-16(12-24-15-20-14-22-24)18(25)21-13-19(8-10-23(2)11-9-19)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyMYFPSGXVXQIPEJ-MRXNPFEDSA-N
MW341.46 g/mol
LogP1.69
Rot. Bonds6

About (2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

(2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 125176400) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID125176400
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](Cn1cncn1)C(=O)NCC1(c2ccccc2)CCN(C)CC1
InChIInChI=1S/C19H27N5O/c1-16(12-24-15-20-14-22-24)18(25)21-13-19(8-10-23(2)11-9-19)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyMYFPSGXVXQIPEJ-MRXNPFEDSA-N
XLogP1.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 119069555
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131926945
(2S)-2-methoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-phenylacetamide
CID 124756158
(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 94117739
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131944233
2-methyl-N-(2-pyridin-4-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 131925012
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 118771504
3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466656
2-morpholin-4-yl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110446352

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 125176400) is (2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is C[C@H](Cn1cncn1)C(=O)NCC1(c2ccccc2)CCN(C)CC1.
What is the InChIKey of (2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is MYFPSGXVXQIPEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N5O/c1-16(12-24-15-20-14-22-24)18(25)21-13-19(8-10-23(2)11-9-19)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
(2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 125176400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).