2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone

C22H30N6O4 — CID 97239155

IUPAC2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C22H30N6O4/c1-2-31-19-13-16(8-9-18(19)32-15-20(29)27-10-4-3-5-11-27)22(30)28-12-6-7-17(14-28)21-23-25-26-24-21/h8-9,13,17H,2-7,10-12,14-15H2,1H3,(H,23,24,25,26)/t17-/m0/s1
InChIKeyAOWALTSXYGDRKD-KRWDZBQOSA-N
MW442.52 g/mol
LogP2.01
Rot. Bonds7

About 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone

2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone (PubChem CID 97239155) has the molecular formula C22H30N6O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
PubChem CID97239155
Molecular FormulaC22H30N6O4
Molecular Weight442.52 g/mol
Exact Mass442.23
IUPAC Name2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C22H30N6O4/c1-2-31-19-13-16(8-9-18(19)32-15-20(29)27-10-4-3-5-11-27)22(30)28-12-6-7-17(14-28)21-23-25-26-24-21/h8-9,13,17H,2-7,10-12,14-15H2,1H3,(H,23,24,25,26)/t17-/m0/s1
InChIKeyAOWALTSXYGDRKD-KRWDZBQOSA-N
XLogP2.01
TPSA113.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-ethoxy-4-[3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 75387010
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
2-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 119483987
2-[2-ethoxy-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 55662113
2-[2-ethoxy-4-(2-ethylpiperidine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 112760204
2-[2-ethoxy-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 46612910
1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064079
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone (CID 97239155) is 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone is CCOc1cc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is AOWALTSXYGDRKD-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N6O4/c1-2-31-19-13-16(8-9-18(19)32-15-20(29)27-10-4-3-5-11-27)22(30)28-12-6-7-17(14-28)21-23-25-26-24-21/h8-9,13,17H,2-7,10-12,14-15H2,1H3,(H,23,24,25,26)/t17-/m0/s1.
What are the key properties of 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone?
2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 442.52 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 97239155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).