3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide

C17H24N6O — CID 119386255

IUPAC3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
SMILESCC(C)C(C(=O)NC1CCNCC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H24N6O/c1-12(2)15(17(24)19-14-8-10-18-11-9-14)23-21-16(20-22-23)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,19,24)
InChIKeyMTMAELXIGJPRGG-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.41
Rot. Bonds5

About 3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide

3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide (PubChem CID 119386255) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
PubChem CID119386255
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
SMILESCC(C)C(C(=O)NC1CCNCC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H24N6O/c1-12(2)15(17(24)19-14-8-10-18-11-9-14)23-21-16(20-22-23)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,19,24)
InChIKeyMTMAELXIGJPRGG-UHFFFAOYSA-N
XLogP1.41
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride
CID 120600412
(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
CID 97319224
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 111333121
2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119826421
N-(2-chloro-4-fluorophenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 60564561
2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
CID 119346239
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119517161
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 120882213
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119644614

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide?
The IUPAC name of 3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide (CID 119386255) is 3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide.
What is the SMILES notation for 3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide?
The canonical SMILES for 3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide is CC(C)C(C(=O)NC1CCNCC1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide?
The InChIKey is MTMAELXIGJPRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)15(17(24)19-14-8-10-18-11-9-14)23-21-16(20-22-23)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,19,24).
What are the key properties of 3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide?
3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide has a molecular weight of 328.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide is sourced from PubChem (CID 119386255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).