N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide

C23H36N6O — CID 56550729

IUPACN-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(CCCCCn2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C23H36N6O/c1-3-4-15-24-23(30)21-14-13-19(2)28(18-21)16-9-6-10-17-29-26-22(25-27-29)20-11-7-5-8-12-20/h5,7-8,11-12,19,21H,3-4,6,9-10,13-18H2,1-2H3,(H,24,30)
InChIKeyNZVFRKKYKAVNNW-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.53
Rot. Bonds11

About N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide

N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide (PubChem CID 56550729) has the molecular formula C23H36N6O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide
PubChem CID56550729
Molecular FormulaC23H36N6O
Molecular Weight412.58 g/mol
Exact Mass412.30
IUPAC NameN-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(CCCCCn2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C23H36N6O/c1-3-4-15-24-23(30)21-14-13-19(2)28(18-21)16-9-6-10-17-29-26-22(25-27-29)20-11-7-5-8-12-20/h5,7-8,11-12,19,21H,3-4,6,9-10,13-18H2,1-2H3,(H,24,30)
InChIKeyNZVFRKKYKAVNNW-UHFFFAOYSA-N
XLogP3.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-[2-hydroxy-3-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)propyl]-6-methylpiperidine-3-carboxamide
CID 86903893
2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
CID 177376615
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
4-(5-phenyltetrazol-2-yl)-1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]butan-1-one
CID 154800378
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
CID 177376612
N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
CID 111464473
(3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide
CID 97314165
N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide
CID 56525948
N-butyl-6-methyl-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-3-carboxamide
CID 86935196
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 119950444
(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide?
The IUPAC name of N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide (CID 56550729) is N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide?
The canonical SMILES for N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(CCCCCn2nnc(-c3ccccc3)n2)C1.
What is the InChIKey of N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide?
The InChIKey is NZVFRKKYKAVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O/c1-3-4-15-24-23(30)21-14-13-19(2)28(18-21)16-9-6-10-17-29-26-22(25-27-29)20-11-7-5-8-12-20/h5,7-8,11-12,19,21H,3-4,6,9-10,13-18H2,1-2H3,(H,24,30).
What are the key properties of N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide?
N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-3-carboxamide is sourced from PubChem (CID 56550729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).