N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide

C24H28N6O2 — CID 86874537

IUPACN-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)CCCn3nnc(-c4ccccc4)n3)cc2)CC1
InChIInChI=1S/C24H28N6O2/c1-18-13-16-29(17-14-18)24(32)20-9-11-21(12-10-20)25-22(31)8-5-15-30-27-23(26-28-30)19-6-3-2-4-7-19/h2-4,6-7,9-12,18H,5,8,13-17H2,1H3,(H,25,31)
InChIKeyGGGUGZIHCMTIDQ-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.63
Rot. Bonds7

About N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide

N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 86874537) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide
PubChem CID86874537
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)CCCn3nnc(-c4ccccc4)n3)cc2)CC1
InChIInChI=1S/C24H28N6O2/c1-18-13-16-29(17-14-18)24(32)20-9-11-21(12-10-20)25-22(31)8-5-15-30-27-23(26-28-30)19-6-3-2-4-7-19/h2-4,6-7,9-12,18H,5,8,13-17H2,1H3,(H,25,31)
InChIKeyGGGUGZIHCMTIDQ-UHFFFAOYSA-N
XLogP3.63
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 119745800
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 86903022
N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide
CID 51173918
4-(5-phenyltetrazol-2-yl)-1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]butan-1-one
CID 154800378
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124693799
4-bromo-N'-[4-(5-phenyltetrazol-2-yl)butanoyl]benzohydrazide
CID 86874442
2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54815489
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide
CID 86874612
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide (CID 86874537) is N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide is CC1CCN(C(=O)c2ccc(NC(=O)CCCn3nnc(-c4ccccc4)n3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is GGGUGZIHCMTIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-18-13-16-29(17-14-18)24(32)20-9-11-21(12-10-20)25-22(31)8-5-15-30-27-23(26-28-30)19-6-3-2-4-7-19/h2-4,6-7,9-12,18H,5,8,13-17H2,1H3,(H,25,31).
What are the key properties of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide?
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 432.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 86874537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).