N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C25H29N5O3 — CID 55791150

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCn1ccnc1COc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N5O3/c1-29-16-13-26-23(29)18-33-22-9-7-19(8-10-22)25(32)28-21-11-14-30(15-12-21)17-24(31)27-20-5-3-2-4-6-20/h2-10,13,16,21H,11-12,14-15,17-18H2,1H3,(H,27,31)(H,28,32)
InChIKeyHAQMJJXOIBPOAQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.83
Rot. Bonds8

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55791150) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55791150
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCn1ccnc1COc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N5O3/c1-29-16-13-26-23(29)18-33-22-9-7-19(8-10-22)25(32)28-21-11-14-30(15-12-21)17-24(31)27-20-5-3-2-4-6-20/h2-10,13,16,21H,11-12,14-15,17-18H2,1H3,(H,27,31)(H,28,32)
InChIKeyHAQMJJXOIBPOAQ-UHFFFAOYSA-N
XLogP2.83
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55775744
4-[(1-methylimidazol-2-yl)methoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55874723
N-[(2S)-1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 42013988
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 16613410
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 29326253
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55854248

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55791150) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is Cn1ccnc1COc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is HAQMJJXOIBPOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-29-16-13-26-23(29)18-33-22-9-7-19(8-10-22)25(32)28-21-11-14-30(15-12-21)17-24(31)27-20-5-3-2-4-6-20/h2-10,13,16,21H,11-12,14-15,17-18H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 447.54 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55791150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).