1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea

C25H30ClN5O3 — CID 142493593

IUPAC1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cn1)N[C@@H]1CCCN(c2ccc(C3(CN4CCOCC4)CC3)cc2)C1=O
InChIInChI=1S/C25H30ClN5O3/c26-19-5-8-22(27-16-19)29-24(33)28-21-2-1-11-31(23(21)32)20-6-3-18(4-7-20)25(9-10-25)17-30-12-14-34-15-13-30/h3-8,16,21H,1-2,9-15,17H2,(H2,27,28,29,33)/t21-/m1/s1
InChIKeyQAIFCCGTAIEYGT-OAQYLSRUSA-N
MW484.00 g/mol
LogP3.42
Rot. Bonds6

About 1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea

1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea (PubChem CID 142493593) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea
PubChem CID142493593
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cn1)N[C@@H]1CCCN(c2ccc(C3(CN4CCOCC4)CC3)cc2)C1=O
InChIInChI=1S/C25H30ClN5O3/c26-19-5-8-22(27-16-19)29-24(33)28-21-2-1-11-31(23(21)32)20-6-3-18(4-7-20)25(9-10-25)17-30-12-14-34-15-13-30/h3-8,16,21H,1-2,9-15,17H2,(H2,27,28,29,33)/t21-/m1/s1
InChIKeyQAIFCCGTAIEYGT-OAQYLSRUSA-N
XLogP3.42
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea (CID 142493593) is 1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea is O=C(Nc1ccc(Cl)cn1)N[C@@H]1CCCN(c2ccc(C3(CN4CCOCC4)CC3)cc2)C1=O.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea?
The InChIKey is QAIFCCGTAIEYGT-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c26-19-5-8-22(27-16-19)29-24(33)28-21-2-1-11-31(23(21)32)20-6-3-18(4-7-20)25(9-10-25)17-30-12-14-34-15-13-30/h3-8,16,21H,1-2,9-15,17H2,(H2,27,28,29,33)/t21-/m1/s1.
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea?
1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea has a molecular weight of 484.00 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-[(3R)-1-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 142493593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).