(4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide

C17H24N6O2 — CID 125179870

IUPAC(4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide
SMILESC[C@@H](CCC(=O)NCc1cccc(-c2nn[nH]n2)c1)N1CCOCC1
InChIInChI=1S/C17H24N6O2/c1-13(23-7-9-25-10-8-23)5-6-16(24)18-12-14-3-2-4-15(11-14)17-19-21-22-20-17/h2-4,11,13H,5-10,12H2,1H3,(H,18,24)(H,19,20,21,22)/t13-/m0/s1
InChIKeyOMBNAFWEDRFRJZ-ZDUSSCGKSA-N
MW344.42 g/mol
LogP0.98
Rot. Bonds7

About (4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide

(4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide (PubChem CID 125179870) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide
PubChem CID125179870
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide
SMILESC[C@@H](CCC(=O)NCc1cccc(-c2nn[nH]n2)c1)N1CCOCC1
InChIInChI=1S/C17H24N6O2/c1-13(23-7-9-25-10-8-23)5-6-16(24)18-12-14-3-2-4-15(11-14)17-19-21-22-20-17/h2-4,11,13H,5-10,12H2,1H3,(H,18,24)(H,19,20,21,22)/t13-/m0/s1
InChIKeyOMBNAFWEDRFRJZ-ZDUSSCGKSA-N
XLogP0.98
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-morpholin-4-yl-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 125164955
(4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-morpholin-4-ylpentanamide
CID 124753245
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride
CID 154902918
N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91764192
N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483704
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 125447493
N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 110483735
(4R)-4-hydroxy-4-(hydroxymethyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]azepane-1-carboxamide
CID 125448692
1-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]urea
CID 122567908

Frequently Asked Questions

What is the IUPAC name of (4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide?
The IUPAC name of (4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide (CID 125179870) is (4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide.
What is the SMILES notation for (4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide?
The canonical SMILES for (4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide is C[C@@H](CCC(=O)NCc1cccc(-c2nn[nH]n2)c1)N1CCOCC1.
What is the InChIKey of (4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide?
The InChIKey is OMBNAFWEDRFRJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13(23-7-9-25-10-8-23)5-6-16(24)18-12-14-3-2-4-15(11-14)17-19-21-22-20-17/h2-4,11,13H,5-10,12H2,1H3,(H,18,24)(H,19,20,21,22)/t13-/m0/s1.
What are the key properties of (4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide?
(4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide has a molecular weight of 344.42 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide is sourced from PubChem (CID 125179870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).