N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide

C26H32N4O4 — CID 90013117

IUPACN-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1)C1CCN(c2cccnc2)C1
InChIInChI=1S/C26H32N4O4/c31-25(19-9-13-30(18-19)21-3-1-12-27-17-21)28-20-5-7-22(8-6-20)34-23-10-14-29(15-11-23)26(32)24-4-2-16-33-24/h1,3,5-8,12,17,19,23-24H,2,4,9-11,13-16,18H2,(H,28,31)/t19?,24-/m0/s1
InChIKeyJLQWVRLXZPKSDZ-WIIYFNMSSA-N
MW464.57 g/mol
LogP3.10
Rot. Bonds6

About N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide

N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 90013117) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID90013117
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1)C1CCN(c2cccnc2)C1
InChIInChI=1S/C26H32N4O4/c31-25(19-9-13-30(18-19)21-3-1-12-27-17-21)28-20-5-7-22(8-6-20)34-23-10-14-29(15-11-23)26(32)24-4-2-16-33-24/h1,3,5-8,12,17,19,23-24H,2,4,9-11,13-16,18H2,(H,28,31)/t19?,24-/m0/s1
InChIKeyJLQWVRLXZPKSDZ-WIIYFNMSSA-N
XLogP3.10
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 90012960
N-[4-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 140621510
N-[4-[1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011158
N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide
CID 90012220
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
[3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 90652723
[(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
CID 42190251
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
[3-(3-methylphenoxy)azetidin-1-yl]-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]methanone
CID 125178800
N-[4-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90010961
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide (CID 90013117) is N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide is O=C(Nc1ccc(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1)C1CCN(c2cccnc2)C1.
What is the InChIKey of N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is JLQWVRLXZPKSDZ-WIIYFNMSSA-N. The full InChI is InChI=1S/C26H32N4O4/c31-25(19-9-13-30(18-19)21-3-1-12-27-17-21)28-20-5-7-22(8-6-20)34-23-10-14-29(15-11-23)26(32)24-4-2-16-33-24/h1,3,5-8,12,17,19,23-24H,2,4,9-11,13-16,18H2,(H,28,31)/t19?,24-/m0/s1.
What are the key properties of N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide?
N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 90013117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).