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

C27H35N5O2 — CID 45486102

IUPACN,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1
InChIInChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-22(11-9-21)32(24-6-5-7-25(33)20-24)23-12-17-30(18-13-23)19-14-26-28-15-16-29-26/h5-11,15-16,20,23,33H,3-4,12-14,17-19H2,1-2H3,(H,28,29)
InChIKeyZGQRBMJYBGTTBC-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.44
Rot. Bonds9

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

N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide (PubChem CID 45486102) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide
PubChem CID45486102
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1
InChIInChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-22(11-9-21)32(24-6-5-7-25(33)20-24)23-12-17-30(18-13-23)19-14-26-28-15-16-29-26/h5-11,15-16,20,23,33H,3-4,12-14,17-19H2,1-2H3,(H,28,29)
InChIKeyZGQRBMJYBGTTBC-UHFFFAOYSA-N
XLogP4.44
TPSA75.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide?
The IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide (CID 45486102) is N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide?
The InChIKey is ZGQRBMJYBGTTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-22(11-9-21)32(24-6-5-7-25(33)20-24)23-12-17-30(18-13-23)19-14-26-28-15-16-29-26/h5-11,15-16,20,23,33H,3-4,12-14,17-19H2,1-2H3,(H,28,29).
What are the key properties of N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide?
N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide has a molecular weight of 461.61 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-hydroxy-N-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]anilino)benzamide is sourced from PubChem (CID 45486102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).