N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide

C26H32N2O3 — CID 92900980

IUPACN-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide
SMILESCC(C)c1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)NC4CC4)c3)C2)cc1
InChIInChI=1S/C26H32N2O3/c1-18(2)20-8-10-21(11-9-20)26(30)28-14-4-5-19(16-28)17-31-24-7-3-6-22(15-24)25(29)27-23-12-13-23/h3,6-11,15,18-19,23H,4-5,12-14,16-17H2,1-2H3,(H,27,29)/t19-/m0/s1
InChIKeyWUKYDLGWRQRSAT-IBGZPJMESA-N
MW420.55 g/mol
LogP4.63
Rot. Bonds7

About N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide (PubChem CID 92900980) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide
PubChem CID92900980
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide
SMILESCC(C)c1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)NC4CC4)c3)C2)cc1
InChIInChI=1S/C26H32N2O3/c1-18(2)20-8-10-21(11-9-20)26(30)28-14-4-5-19(16-28)17-31-24-7-3-6-22(15-24)25(29)27-23-12-13-23/h3,6-11,15,18-19,23H,4-5,12-14,16-17H2,1-2H3,(H,27,29)/t19-/m0/s1
InChIKeyWUKYDLGWRQRSAT-IBGZPJMESA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057
N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 92900952
N-cyclopropyl-3-[[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 50847037
N-cyclopropyl-3-[[1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 50846714
N-cyclopropyl-3-[[(3R)-1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 92900949
N-cyclopropyl-3-[[(3S)-1-propanoylpiperidin-3-yl]methoxy]benzamide
CID 92901036
3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 50846681
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 50846747
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799
N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 92901011

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide (CID 92900980) is N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide is CC(C)c1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)NC4CC4)c3)C2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide?
The InChIKey is WUKYDLGWRQRSAT-IBGZPJMESA-N. The full InChI is InChI=1S/C26H32N2O3/c1-18(2)20-8-10-21(11-9-20)26(30)28-14-4-5-19(16-28)17-31-24-7-3-6-22(15-24)25(29)27-23-12-13-23/h3,6-11,15,18-19,23H,4-5,12-14,16-17H2,1-2H3,(H,27,29)/t19-/m0/s1.
What are the key properties of N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide has a molecular weight of 420.55 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 92900980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).