N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide

C19H27N5O — CID 45197006

IUPACN-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN1CCCC(CN(CCc2ccccc2)C(=O)Cn2cncn2)C1
InChIInChI=1S/C19H27N5O/c1-22-10-5-8-18(12-22)13-23(11-9-17-6-3-2-4-7-17)19(25)14-24-16-20-15-21-24/h2-4,6-7,15-16,18H,5,8-14H2,1H3
InChIKeyBPJMXFLNGSCCCU-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.69
Rot. Bonds7

About N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 45197006) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID45197006
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN1CCCC(CN(CCc2ccccc2)C(=O)Cn2cncn2)C1
InChIInChI=1S/C19H27N5O/c1-22-10-5-8-18(12-22)13-23(11-9-17-6-3-2-4-7-17)19(25)14-24-16-20-15-21-24/h2-4,6-7,15-16,18H,5,8-14H2,1H3
InChIKeyBPJMXFLNGSCCCU-UHFFFAOYSA-N
XLogP1.69
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Phenylpropyl)-1H-1,2,4-triazole-1-acetamide
CID 3731870
N-[(1S)-1-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11957302
N-(2-phenylcyclopropyl)-4-(1H-1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 45269947
1-(4-Benzylpiperidin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
CID 60155645
N-(3,3-diphenylpropyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3539070
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 24791654
N-(1-benzylpiperidin-4-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188142
1-benzyl-4-(1H-tetraazol-1-ylacetyl)piperazine
CID 1223040
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 38401293
1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 45234477
1-(2,3-difluorobenzyl)-4-[1-(1H-1,2,4-triazol-1-ylacetyl)-3-pyrrolidinyl]piperidine
CID 45245074
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 53499546

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 45197006) is N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide is CN1CCCC(CN(CCc2ccccc2)C(=O)Cn2cncn2)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is BPJMXFLNGSCCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-22-10-5-8-18(12-22)13-23(11-9-17-6-3-2-4-7-17)19(25)14-24-16-20-15-21-24/h2-4,6-7,15-16,18H,5,8-14H2,1H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 45197006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).