(2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide

C22H28N6O — CID 124880412

IUPAC(2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1cccc2ccccc12)N1CCC(c2nc(N(C)C)n[nH]2)CC1
InChIInChI=1S/C22H28N6O/c1-15(21(29)23-19-10-6-8-16-7-4-5-9-18(16)19)28-13-11-17(12-14-28)20-24-22(26-25-20)27(2)3/h4-10,15,17H,11-14H2,1-3H3,(H,23,29)(H,24,25,26)/t15-/m1/s1
InChIKeyBGRNLMWHECAPSM-OAHLLOKOSA-N
MW392.51 g/mol
LogP3.23
Rot. Bonds5

About (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide

(2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 124880412) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide
PubChem CID124880412
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name(2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1cccc2ccccc12)N1CCC(c2nc(N(C)C)n[nH]2)CC1
InChIInChI=1S/C22H28N6O/c1-15(21(29)23-19-10-6-8-16-7-4-5-9-18(16)19)28-13-11-17(12-14-28)20-24-22(26-25-20)27(2)3/h4-10,15,17H,11-14H2,1-3H3,(H,23,29)(H,24,25,26)/t15-/m1/s1
InChIKeyBGRNLMWHECAPSM-OAHLLOKOSA-N
XLogP3.23
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-naphthalen-1-yl-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100856193
N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580
(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 94762816
(2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
CID 97256783
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 4824595
2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanoic acid
CID 119958609
N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 18282245
N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 4824587
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 4824501
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
(2R)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-naphthalen-1-ylpropanamide
CID 40792196
(2S)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 96997613

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide (CID 124880412) is (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide is C[C@H](C(=O)Nc1cccc2ccccc12)N1CCC(c2nc(N(C)C)n[nH]2)CC1.
What is the InChIKey of (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is BGRNLMWHECAPSM-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15(21(29)23-19-10-6-8-16-7-4-5-9-18(16)19)28-13-11-17(12-14-28)20-24-22(26-25-20)27(2)3/h4-10,15,17H,11-14H2,1-3H3,(H,23,29)(H,24,25,26)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide?
(2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 392.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 124880412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).