N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide

C28H37N5O2 — CID 45485986

IUPACN,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1
InChIInChI=1S/C28H37N5O2/c1-4-32(5-2)28(34)22-9-11-23(12-10-22)33(25-7-6-8-26(21-25)35-3)24-13-18-31(19-14-24)20-15-27-29-16-17-30-27/h6-12,16-17,21,24H,4-5,13-15,18-20H2,1-3H3,(H,29,30)
InChIKeyUHIQNBBDQHKNJV-UHFFFAOYSA-N
MW475.64 g/mol
LogP4.75
Rot. Bonds10

About N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide

N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide (PubChem CID 45485986) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide
PubChem CID45485986
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC NameN,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1
InChIInChI=1S/C28H37N5O2/c1-4-32(5-2)28(34)22-9-11-23(12-10-22)33(25-7-6-8-26(21-25)35-3)24-13-18-31(19-14-24)20-15-27-29-16-17-30-27/h6-12,16-17,21,24H,4-5,13-15,18-20H2,1-3H3,(H,29,30)
InChIKeyUHIQNBBDQHKNJV-UHFFFAOYSA-N
XLogP4.75
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
The IUPAC name of N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide (CID 45485986) is N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
The InChIKey is UHIQNBBDQHKNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-4-32(5-2)28(34)22-9-11-23(12-10-22)33(25-7-6-8-26(21-25)35-3)24-13-18-31(19-14-24)20-15-27-29-16-17-30-27/h6-12,16-17,21,24H,4-5,13-15,18-20H2,1-3H3,(H,29,30).
What are the key properties of N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide?
N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide has a molecular weight of 475.64 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]-3-methoxyanilino)benzamide is sourced from PubChem (CID 45485986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).