N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide

C23H31N5O3 — CID 143553490

IUPACN-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide
SMILESO=C(CNC(=O)N1CCCC1)N1CCC(c2ccccc2OCCn2ccnc2)CC1
InChIInChI=1S/C23H31N5O3/c29-22(17-25-23(30)28-10-3-4-11-28)27-12-7-19(8-13-27)20-5-1-2-6-21(20)31-16-15-26-14-9-24-18-26/h1-2,5-6,9,14,18-19H,3-4,7-8,10-13,15-17H2,(H,25,30)
InChIKeyZGJSRKSMVBQFSM-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.47
Rot. Bonds7

About N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide

N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide (PubChem CID 143553490) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide
PubChem CID143553490
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide
SMILESO=C(CNC(=O)N1CCCC1)N1CCC(c2ccccc2OCCn2ccnc2)CC1
InChIInChI=1S/C23H31N5O3/c29-22(17-25-23(30)28-10-3-4-11-28)27-12-7-19(8-13-27)20-5-1-2-6-21(20)31-16-15-26-14-9-24-18-26/h1-2,5-6,9,14,18-19H,3-4,7-8,10-13,15-17H2,(H,25,30)
InChIKeyZGJSRKSMVBQFSM-UHFFFAOYSA-N
XLogP2.47
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(2-imidazol-1-ylethyl)-4-phenylazepane-1-carboxamide
CID 95186692
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90492606
N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
CID 119862178
6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 166260625
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328
3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 119071193
1-chloro-4-methylbenzene;N-[2-[4-[4-chloro-2-(1-methylpiperidin-3-yl)oxyphenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 143553469
2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
CID 75531590
N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride
CID 24831935
5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 166393970

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide (CID 143553490) is N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide is O=C(CNC(=O)N1CCCC1)N1CCC(c2ccccc2OCCn2ccnc2)CC1.
What is the InChIKey of N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide?
The InChIKey is ZGJSRKSMVBQFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c29-22(17-25-23(30)28-10-3-4-11-28)27-12-7-19(8-13-27)20-5-1-2-6-21(20)31-16-15-26-14-9-24-18-26/h1-2,5-6,9,14,18-19H,3-4,7-8,10-13,15-17H2,(H,25,30).
What are the key properties of N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide?
N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2-imidazol-1-ylethoxy)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 143553490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).