N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide

C21H29N5O2 — CID 42379086

IUPACN-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1)n1cncn1
InChIInChI=1S/C21H29N5O2/c1-17(26-16-22-15-23-26)21(28)25-12-10-18(11-13-25)8-9-20(27)24(2)14-19-6-4-3-5-7-19/h3-7,15-18H,8-14H2,1-2H3/t17-/m0/s1
InChIKeyZBGGEKBMEDMTMC-KRWDZBQOSA-N
MW383.50 g/mol
LogP2.52
Rot. Bonds7

About N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide

N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide (PubChem CID 42379086) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
PubChem CID42379086
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1)n1cncn1
InChIInChI=1S/C21H29N5O2/c1-17(26-16-22-15-23-26)21(28)25-12-10-18(11-13-25)8-9-20(27)24(2)14-19-6-4-3-5-7-19/h3-7,15-18H,8-14H2,1-2H3/t17-/m0/s1
InChIKeyZBGGEKBMEDMTMC-KRWDZBQOSA-N
XLogP2.52
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide
CID 42456995
N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661
(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide
CID 26393824
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 81482925
N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide
CID 42516722
(2S)-1-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95342369
1-(3-aminopyrrolidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 62067807
(2S)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94042818
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 56811628
N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
CID 26328630
3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide
CID 25366346

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide (CID 42379086) is N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide is C[C@@H](C(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1)n1cncn1.
What is the InChIKey of N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is ZBGGEKBMEDMTMC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-17(26-16-22-15-23-26)21(28)25-12-10-18(11-13-25)8-9-20(27)24(2)14-19-6-4-3-5-7-19/h3-7,15-18H,8-14H2,1-2H3/t17-/m0/s1.
What are the key properties of N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 383.50 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42379086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).