(3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide

C23H35N3O3 — CID 124820774

IUPAC(3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2C[C@H](C3CCN(C[C@H]4CCOC4)CC3)N(C)C2)cc1
InChIInChI=1S/C23H35N3O3/c1-25-15-19(23(27)24-20-3-5-21(28-2)6-4-20)13-22(25)18-7-10-26(11-8-18)14-17-9-12-29-16-17/h3-6,17-19,22H,7-16H2,1-2H3,(H,24,27)/t17-,19-,22-/m1/s1
InChIKeyVBCXBFNDMSFDDS-SFGWALBWSA-N
MW401.55 g/mol
LogP2.70
Rot. Bonds6

About (3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide

(3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 124820774) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is (3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID124820774
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name(3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2C[C@H](C3CCN(C[C@H]4CCOC4)CC3)N(C)C2)cc1
InChIInChI=1S/C23H35N3O3/c1-25-15-19(23(27)24-20-3-5-21(28-2)6-4-20)13-22(25)18-7-10-26(11-8-18)14-17-9-12-29-16-17/h3-6,17-19,22H,7-16H2,1-2H3,(H,24,27)/t17-,19-,22-/m1/s1
InChIKeyVBCXBFNDMSFDDS-SFGWALBWSA-N
XLogP2.70
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956896
(3R,5R)-N-(4-fluorophenyl)-5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607866
1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 45226535
N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956838
(3R,5R)-N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607838
N-(4-fluorophenyl)-1-methyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956837
N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide
CID 126461711
N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 25367693
1-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 16909192
(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92563409
(3R,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92565447
(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92565446

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide (CID 124820774) is (3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2C[C@H](C3CCN(C[C@H]4CCOC4)CC3)N(C)C2)cc1.
What is the InChIKey of (3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is VBCXBFNDMSFDDS-SFGWALBWSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-25-15-19(23(27)24-20-3-5-21(28-2)6-4-20)13-22(25)18-7-10-26(11-8-18)14-17-9-12-29-16-17/h3-6,17-19,22H,7-16H2,1-2H3,(H,24,27)/t17-,19-,22-/m1/s1.
What are the key properties of (3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
(3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124820774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).