(3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide

C19H24N6O3 — CID 100815671

IUPAC(3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide
SMILESC[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1
InChIInChI=1S/C19H24N6O3/c1-13(28-17-8-6-16(7-9-17)25-12-20-22-23-25)19(27)24-10-2-3-14(11-24)18(26)21-15-4-5-15/h6-9,12-15H,2-5,10-11H2,1H3,(H,21,26)/t13-,14-/m0/s1
InChIKeyWPBQNLINXQHVHF-KBPBESRZSA-N
MW384.44 g/mol
LogP0.95
Rot. Bonds6

About (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide (PubChem CID 100815671) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide
PubChem CID100815671
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name(3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide
SMILESC[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1
InChIInChI=1S/C19H24N6O3/c1-13(28-17-8-6-16(7-9-17)25-12-20-22-23-25)19(27)24-10-2-3-14(11-24)18(26)21-15-4-5-15/h6-9,12-15H,2-5,10-11H2,1H3,(H,21,26)/t13-,14-/m0/s1
InChIKeyWPBQNLINXQHVHF-KBPBESRZSA-N
XLogP0.95
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-cyclopropyl-1-[(2R)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide
CID 100815668
N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633897
(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
(2R)-1-[(2R)-2-(azepan-1-ylmethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 51583692
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 7500751
2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
CID 6485344
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
CID 94164900
N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1455565
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 30388378
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide (CID 100815671) is (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide is C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide?
The InChIKey is WPBQNLINXQHVHF-KBPBESRZSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-13(28-17-8-6-16(7-9-17)25-12-20-22-23-25)19(27)24-10-2-3-14(11-24)18(26)21-15-4-5-15/h6-9,12-15H,2-5,10-11H2,1H3,(H,21,26)/t13-,14-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 100815671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).