(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide

C17H22N6O2 — CID 95280291

IUPAC(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)CCCn2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H22N6O2/c18-16(25)14-8-4-10-22(12-14)15(24)9-5-11-23-20-17(19-21-23)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,18,25)/t14-/m1/s1
InChIKeyCIADVBXUZWBOQY-CQSZACIVSA-N
MW342.40 g/mol
LogP0.84
Rot. Bonds6

About (3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide

(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide (PubChem CID 95280291) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
PubChem CID95280291
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)CCCn2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H22N6O2/c18-16(25)14-8-4-10-22(12-14)15(24)9-5-11-23-20-17(19-21-23)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,18,25)/t14-/m1/s1
InChIKeyCIADVBXUZWBOQY-CQSZACIVSA-N
XLogP0.84
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 119167482
(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
(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 94176966
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124694433
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124693799
(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide
CID 95382682
3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124701783
N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 86904326
(3S)-1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 126450015
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate
CID 86902646

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide (CID 95280291) is (3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)CCCn2nnc(-c3ccccc3)n2)C1.
What is the InChIKey of (3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide?
The InChIKey is CIADVBXUZWBOQY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O2/c18-16(25)14-8-4-10-22(12-14)15(24)9-5-11-23-20-17(19-21-23)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,18,25)/t14-/m1/s1.
What are the key properties of (3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide?
(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 95280291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).