1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one

C17H24N6O — CID 124693799

IUPAC1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
SMILESC[C@H]1C[C@H](N)CCN1C(=O)CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H24N6O/c1-13-12-15(18)9-11-22(13)16(24)8-5-10-23-20-17(19-21-23)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,18H2,1H3/t13-,15+/m0/s1
InChIKeyXMZPFFZQMRASDI-DZGCQCFKSA-N
MW328.42 g/mol
LogP1.46
Rot. Bonds5

About 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one

1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one (PubChem CID 124693799) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
PubChem CID124693799
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
SMILESC[C@H]1C[C@H](N)CCN1C(=O)CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H24N6O/c1-13-12-15(18)9-11-22(13)16(24)8-5-10-23-20-17(19-21-23)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,18H2,1H3/t13-,15+/m0/s1
InChIKeyXMZPFFZQMRASDI-DZGCQCFKSA-N
XLogP1.46
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124694433
(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124702735
4-(5-phenyltetrazol-2-yl)-1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]butan-1-one
CID 154800378
1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 86903022
(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 95280291
1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 119167482
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 124692681
3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate
CID 86902646
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 86874537
3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
CID 124691675
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 124691222

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one?
The IUPAC name of 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one (CID 124693799) is 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one.
What is the SMILES notation for 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one?
The canonical SMILES for 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one is C[C@H]1C[C@H](N)CCN1C(=O)CCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one?
The InChIKey is XMZPFFZQMRASDI-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-12-15(18)9-11-22(13)16(24)8-5-10-23-20-17(19-21-23)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,18H2,1H3/t13-,15+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one?
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one is sourced from PubChem (CID 124693799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).