2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid

C19H27N5O2 — CID 118499972

IUPAC2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid
SMILESO=C(O)C(CCCC1CCNCC1)[C@H](Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C19H27N5O2/c25-19(26)16(8-4-7-14-9-11-20-12-10-14)17(18-21-23-24-22-18)13-15-5-2-1-3-6-15/h1-3,5-6,14,16-17,20H,4,7-13H2,(H,25,26)(H,21,22,23,24)/t16?,17-/m0/s1
InChIKeySPSRTCPJHXBRAJ-DJNXLDHESA-N
MW357.46 g/mol
LogP2.40
Rot. Bonds9

About 2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid

2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid (PubChem CID 118499972) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid.

Molecular Properties

Compound Name2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid
PubChem CID118499972
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid
SMILESO=C(O)C(CCCC1CCNCC1)[C@H](Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C19H27N5O2/c25-19(26)16(8-4-7-14-9-11-20-12-10-14)17(18-21-23-24-22-18)13-15-5-2-1-3-6-15/h1-3,5-6,14,16-17,20H,4,7-13H2,(H,25,26)(H,21,22,23,24)/t16?,17-/m0/s1
InChIKeySPSRTCPJHXBRAJ-DJNXLDHESA-N
XLogP2.40
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1S)-2-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid
CID 118506583
2-[2-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid
CID 123895226
6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid
CID 123390760
2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]heptanedioic acid
CID 118499889
(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499935
(3S,4S)-3-(cyclopropylmethyl)-5-phenyl-4-(2H-tetrazol-5-yl)pentan-2-one
CID 129264669
4-[3-carboxy-2-(2H-tetrazol-5-yl)hexyl]benzoic acid
CID 123953729
2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 129240231
(2S)-2-[(1S)-2-(6-piperazin-1-yl-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499854
tert-butyl (2S)-6-cyano-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoate
CID 118499860
(2S,3S)-4-piperidin-4-yl-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoic acid
CID 118505972
(2S)-2-[(1S)-2-[4-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506561

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid?
The IUPAC name of 2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid (CID 118499972) is 2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid.
What is the SMILES notation for 2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid?
The canonical SMILES for 2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid is O=C(O)C(CCCC1CCNCC1)[C@H](Cc1ccccc1)c1nn[nH]n1.
What is the InChIKey of 2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid?
The InChIKey is SPSRTCPJHXBRAJ-DJNXLDHESA-N. The full InChI is InChI=1S/C19H27N5O2/c25-19(26)16(8-4-7-14-9-11-20-12-10-14)17(18-21-23-24-22-18)13-15-5-2-1-3-6-15/h1-3,5-6,14,16-17,20H,4,7-13H2,(H,25,26)(H,21,22,23,24)/t16?,17-/m0/s1.
What are the key properties of 2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid?
2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid has a molecular weight of 357.46 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid is sourced from PubChem (CID 118499972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).