1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide

C16H30N6O — CID 654855

IUPAC1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCCCC(c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H30N6O/c1-4-5-14(21-9-7-13(8-10-21)15(17)23)16-18-19-20-22(16)11-6-12(2)3/h12-14H,4-11H2,1-3H3,(H2,17,23)
InChIKeyLLBGEAGNJNZKNC-UHFFFAOYSA-N
MW322.46 g/mol
LogP1.76
Rot. Bonds8

About 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide

1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide (PubChem CID 654855) has the molecular formula C16H30N6O and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
PubChem CID654855
Molecular FormulaC16H30N6O
Molecular Weight322.46 g/mol
Exact Mass322.25
IUPAC Name1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCCCC(c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H30N6O/c1-4-5-14(21-9-7-13(8-10-21)15(17)23)16-18-19-20-22(16)11-6-12(2)3/h12-14H,4-11H2,1-3H3,(H2,17,23)
InChIKeyLLBGEAGNJNZKNC-UHFFFAOYSA-N
XLogP1.76
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{1-[1-(3-Methyl-butyl)-1H-tetrazol-5-yl]-butyl}-piperidine-4-carboxylic acid amide
CID 6603174
1-{1-[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-piperidine-4-carboxylic acid amide
CID 647785
1-[1-(1-Cyclopentyltetrazol-5-yl)propyl]piperidine-4-carboxamide
CID 3208671
1-[1-(1-Cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
CID 3208695
1-[1-(1-Cyclopentyltetrazol-5-yl)-3-methylbutyl]piperidine-4-carboxamide
CID 3208711
1-{2-Methyl-1-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-propyl}-piperidine-4-carboxylic acid amide
CID 3210353
1-{1-[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperidine-4-carboxylic acid amide
CID 655071
1-{1-[1-(3-Methyl-butyl)-1H-tetrazol-5-yl]-propyl}-piperidine-4-carboxylic acid amide
CID 655135
4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-(2,2,2-trifluoroethyl)butanamide
CID 56709392
N-[1-[1-(1-cyclohexyltetrazol-5-yl)ethyl]piperidin-3-yl]butanamide
CID 121516937
N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-ethylbutanamide
CID 124741455
1-[(1-Cyclohexyltetrazol-5-yl)methyl]piperidine-4-carboxamide
CID 857873

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide (CID 654855) is 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide is CCCC(c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The InChIKey is LLBGEAGNJNZKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O/c1-4-5-14(21-9-7-13(8-10-21)15(17)23)16-18-19-20-22(16)11-6-12(2)3/h12-14H,4-11H2,1-3H3,(H2,17,23).
What are the key properties of 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 654855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).