4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide

C19H28N6O3 — CID 97279085

IUPAC4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2nn[nH]n2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C19H28N6O3/c1-12(2)25-9-7-15(8-10-25)28-17-11-14(5-6-16(17)27-4)19(26)20-13(3)18-21-23-24-22-18/h5-6,11-13,15H,7-10H2,1-4H3,(H,20,26)(H,21,22,23,24)/t13-/m1/s1
InChIKeyJXYDMHJAIVJXOR-CYBMUJFWSA-N
MW388.47 g/mol
LogP1.95
Rot. Bonds7

About 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 97279085) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID97279085
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2nn[nH]n2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C19H28N6O3/c1-12(2)25-9-7-15(8-10-25)28-17-11-14(5-6-16(17)27-4)19(26)20-13(3)18-21-23-24-22-18/h5-6,11-13,15H,7-10H2,1-4H3,(H,20,26)(H,21,22,23,24)/t13-/m1/s1
InChIKeyJXYDMHJAIVJXOR-CYBMUJFWSA-N
XLogP1.95
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97283103
methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate
CID 42393723
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 97284805
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 25292140
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
CID 45231940
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 97268505
N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386
1-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]piperidine-4-carbonitrile
CID 72921915
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 56703138

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 97279085) is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide is COc1ccc(C(=O)N[C@H](C)c2nn[nH]n2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is JXYDMHJAIVJXOR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-12(2)25-9-7-15(8-10-25)28-17-11-14(5-6-16(17)27-4)19(26)20-13(3)18-21-23-24-22-18/h5-6,11-13,15H,7-10H2,1-4H3,(H,20,26)(H,21,22,23,24)/t13-/m1/s1.
What are the key properties of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide?
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 97279085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).