(2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide

C19H28N6O2 — CID 51593101

IUPAC(2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide
SMILESCC1CCN([C@@H](C)CNC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C19H28N6O2/c1-14-8-10-24(11-9-14)15(2)12-20-19(26)16(3)27-18-6-4-17(5-7-18)25-13-21-22-23-25/h4-7,13-16H,8-12H2,1-3H3,(H,20,26)/t15-,16+/m0/s1
InChIKeyKUPQELLUJTWPLR-JKSUJKDBSA-N
MW372.47 g/mol
LogP1.67
Rot. Bonds7

About (2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide

(2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide (PubChem CID 51593101) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide
PubChem CID51593101
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide
SMILESCC1CCN([C@@H](C)CNC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C19H28N6O2/c1-14-8-10-24(11-9-14)15(2)12-20-19(26)16(3)27-18-6-4-17(5-7-18)25-13-21-22-23-25/h4-7,13-16H,8-12H2,1-3H3,(H,20,26)/t15-,16+/m0/s1
InChIKeyKUPQELLUJTWPLR-JKSUJKDBSA-N
XLogP1.67
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633897
4-[[2-[4-(tetrazol-1-yl)phenoxy]propanoylamino]methyl]benzoic acid
CID 45148199
4-[[[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]amino]methyl]benzoic acid
CID 35330055
2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide
CID 109388933
2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
CID 6485344
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
(2R)-1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 35329909
1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 45148172
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
(2R)-1-[(2R)-2-(azepan-1-ylmethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 51583692
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 30388378
(3R)-N-cyclopropyl-1-[(2R)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide
CID 100815668

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The IUPAC name of (2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide (CID 51593101) is (2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide is CC1CCN([C@@H](C)CNC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of (2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The InChIKey is KUPQELLUJTWPLR-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-14-8-10-24(11-9-14)15(2)12-20-19(26)16(3)27-18-6-4-17(5-7-18)25-13-21-22-23-25/h4-7,13-16H,8-12H2,1-3H3,(H,20,26)/t15-,16+/m0/s1.
What are the key properties of (2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
(2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide has a molecular weight of 372.47 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 51593101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).