N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide

C23H25ClN2O3 — CID 30920617

IUPACN-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C23H25ClN2O3/c24-21-4-2-1-3-18(21)15-25-22(27)16-7-9-19(10-8-16)29-20-11-13-26(14-12-20)23(28)17-5-6-17/h1-4,7-10,17,20H,5-6,11-15H2,(H,25,27)
InChIKeyMEMPTGRIPSQNKR-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.05
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide

N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide (PubChem CID 30920617) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
PubChem CID30920617
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C23H25ClN2O3/c24-21-4-2-1-3-18(21)15-25-22(27)16-7-9-19(10-8-16)29-20-11-13-26(14-12-20)23(28)17-5-6-17/h1-4,7-10,17,20H,5-6,11-15H2,(H,25,27)
InChIKeyMEMPTGRIPSQNKR-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 72903010
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 72844969
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 72887706
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30921211
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 45236126
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide (CID 30920617) is N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide is O=C(NCc1ccccc1Cl)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
The InChIKey is MEMPTGRIPSQNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c24-21-4-2-1-3-18(21)15-25-22(27)16-7-9-19(10-8-16)29-20-11-13-26(14-12-20)23(28)17-5-6-17/h1-4,7-10,17,20H,5-6,11-15H2,(H,25,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide has a molecular weight of 412.92 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 30920617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).