N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C27H40N2O3 — CID 25292140

IUPACN-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C27H40N2O3/c1-17(2)29-8-6-23(7-9-29)32-26-15-20(4-5-25(26)31-3)27(30)28-16-24-21-11-18-10-19(13-21)14-22(24)12-18/h4-5,15,17-19,21-24H,6-14,16H2,1-3H3,(H,28,30)
InChIKeySGHPJQJLIAYPDM-UHFFFAOYSA-N
MW440.63 g/mol
LogP4.75
Rot. Bonds7

About N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 25292140) has the molecular formula C27H40N2O3 and a molecular weight of 440.63 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID25292140
Molecular FormulaC27H40N2O3
Molecular Weight440.63 g/mol
Exact Mass440.30
IUPAC NameN-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C27H40N2O3/c1-17(2)29-8-6-23(7-9-29)32-26-15-20(4-5-25(26)31-3)27(30)28-16-24-21-11-18-10-19(13-21)14-22(24)12-18/h4-5,15,17-19,21-24H,6-14,16H2,1-3H3,(H,28,30)
InChIKeySGHPJQJLIAYPDM-UHFFFAOYSA-N
XLogP4.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate
CID 42393723
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
CID 45231940
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 97279085
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97283103
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 24793078
1-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]piperidine-4-carbonitrile
CID 72921915
4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 45194364
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 25292140) is N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is COc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is SGHPJQJLIAYPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O3/c1-17(2)29-8-6-23(7-9-29)32-26-15-20(4-5-25(26)31-3)27(30)28-16-24-21-11-18-10-19(13-21)14-22(24)12-18/h4-5,15,17-19,21-24H,6-14,16H2,1-3H3,(H,28,30).
What are the key properties of N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 440.63 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 25292140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).