(2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide

C19H22N8O — CID 126454160

IUPAC(2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide
SMILESO=C(NC1CCN(c2cnccn2)CC1)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C19H22N8O/c28-19(17(27-14-22-24-25-27)12-15-4-2-1-3-5-15)23-16-6-10-26(11-7-16)18-13-20-8-9-21-18/h1-5,8-9,13-14,16-17H,6-7,10-12H2,(H,23,28)/t17-/m0/s1
InChIKeyYCBGTBHWDMWDHH-KRWDZBQOSA-N
MW378.44 g/mol
LogP1.03
Rot. Bonds6

About (2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide

(2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide (PubChem CID 126454160) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is (2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide
PubChem CID126454160
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name(2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide
SMILESO=C(NC1CCN(c2cnccn2)CC1)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C19H22N8O/c28-19(17(27-14-22-24-25-27)12-15-4-2-1-3-5-15)23-16-6-10-26(11-7-16)18-13-20-8-9-21-18/h1-5,8-9,13-14,16-17H,6-7,10-12H2,(H,23,28)/t17-/m0/s1
InChIKeyYCBGTBHWDMWDHH-KRWDZBQOSA-N
XLogP1.03
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-cyclopentyl-2-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)acetamide
CID 125164422
3-phenyl-N-pyridin-3-yl-2-(tetrazol-1-yl)propanamide
CID 47016922
(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 51054904
3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118778072
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 134026262
(2S)-3-phenyl-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2-(tetrazol-1-yl)propanamide
CID 99795770
N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide
CID 47042911
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8510170
(2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide
CID 124735606
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
CID 38795279

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide (CID 126454160) is (2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide is O=C(NC1CCN(c2cnccn2)CC1)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide?
The InChIKey is YCBGTBHWDMWDHH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N8O/c28-19(17(27-14-22-24-25-27)12-15-4-2-1-3-5-15)23-16-6-10-26(11-7-16)18-13-20-8-9-21-18/h1-5,8-9,13-14,16-17H,6-7,10-12H2,(H,23,28)/t17-/m0/s1.
What are the key properties of (2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide?
(2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide has a molecular weight of 378.44 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 126454160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).