4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C22H32N4O3 — CID 97283103

IUPAC4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ncc(C)[nH]2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C22H32N4O3/c1-14(2)26-10-8-18(9-11-26)29-20-12-17(6-7-19(20)28-5)22(27)25-16(4)21-23-13-15(3)24-21/h6-7,12-14,16,18H,8-11H2,1-5H3,(H,23,24)(H,25,27)/t16-/m0/s1
InChIKeyBNXMSMDGFGFJQM-INIZCTEOSA-N
MW400.52 g/mol
LogP3.47
Rot. Bonds7

About 4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 97283103) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID97283103
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ncc(C)[nH]2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C22H32N4O3/c1-14(2)26-10-8-18(9-11-26)29-20-12-17(6-7-19(20)28-5)22(27)25-16(4)21-23-13-15(3)24-21/h6-7,12-14,16,18H,8-11H2,1-5H3,(H,23,24)(H,25,27)/t16-/m0/s1
InChIKeyBNXMSMDGFGFJQM-INIZCTEOSA-N
XLogP3.47
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 97279085
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CID 42393723
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
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-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
CID 45231940
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796198
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 56703138
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 97268505
1-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]piperidine-4-carbonitrile
CID 72921915
3-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 72865235
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of 4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 97283103) is 4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for 4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for 4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is COc1ccc(C(=O)N[C@@H](C)c2ncc(C)[nH]2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is BNXMSMDGFGFJQM-INIZCTEOSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-14(2)26-10-8-18(9-11-26)29-20-12-17(6-7-19(20)28-5)22(27)25-16(4)21-23-13-15(3)24-21/h6-7,12-14,16,18H,8-11H2,1-5H3,(H,23,24)(H,25,27)/t16-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 400.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 97283103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).