N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide

C22H26N6O — CID 14426224

IUPACN-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nn[nH]n2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N6O/c1-2-20(29)28(19-11-7-4-8-12-19)22(21-23-25-26-24-21)13-15-27(16-14-22)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H,23,24,25,26)
InChIKeyNZWKACGOAYICEP-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.13
Rot. Bonds6

About N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide

N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14426224) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14426224
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nn[nH]n2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N6O/c1-2-20(29)28(19-11-7-4-8-12-19)22(21-23-25-26-24-21)13-15-27(16-14-22)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H,23,24,25,26)
InChIKeyNZWKACGOAYICEP-UHFFFAOYSA-N
XLogP3.13
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-benzyl-4-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]-N-(4-chlorophenyl)propanamide
CID 23083221
N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14426363
N-(1-ethyl-4-methylpiperidin-4-yl)-N-phenylpropanamide
CID 58673088
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
CID 126539472
N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
CID 14426373
2-oxobutyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163899623
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
methyl 1-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 165365203
1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide
CID 126801639
1-benzyl-4-(diethylamino)piperidine-4-carboxylic acid
CID 43803654
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide (CID 14426224) is N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(c2nn[nH]n2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is NZWKACGOAYICEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-2-20(29)28(19-11-7-4-8-12-19)22(21-23-25-26-24-21)13-15-27(16-14-22)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H,23,24,25,26).
What are the key properties of N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 390.49 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-4-(2H-tetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14426224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).