2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone

C25H26ClN3O4 — CID 162045053

IUPAC2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone
SMILESO=C(Cc1cncc(-c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)c(Cl)c2)c1)C1CC1
InChIInChI=1S/C25H26ClN3O4/c26-21-13-18(19-11-16(14-27-15-19)12-22(30)17-1-2-17)3-4-20(21)23(31)28-7-9-29(10-8-28)24(32)25(33)5-6-25/h3-4,11,13-15,17,33H,1-2,5-10,12H2
InChIKeyYXTWOZOGYQVHPN-UHFFFAOYSA-N
MW467.95 g/mol
LogP2.73
Rot. Bonds6

About 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone

2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone (PubChem CID 162045053) has the molecular formula C25H26ClN3O4 and a molecular weight of 467.95 g/mol. Its IUPAC name is 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone.

Molecular Properties

Compound Name2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone
PubChem CID162045053
Molecular FormulaC25H26ClN3O4
Molecular Weight467.95 g/mol
Exact Mass467.16
IUPAC Name2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone
SMILESO=C(Cc1cncc(-c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)c(Cl)c2)c1)C1CC1
InChIInChI=1S/C25H26ClN3O4/c26-21-13-18(19-11-16(14-27-15-19)12-22(30)17-1-2-17)3-4-20(21)23(31)28-7-9-29(10-8-28)24(32)25(33)5-6-25/h3-4,11,13-15,17,33H,1-2,5-10,12H2
InChIKeyYXTWOZOGYQVHPN-UHFFFAOYSA-N
XLogP2.73
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.95
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone with MolForge

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Related Compounds

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(2-methoxy-4-quinolin-3-ylphenyl)methanone
CID 86275797
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911
N-hydroxy-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 139377421
[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 81225735
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621871
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251616
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[5-(2-methoxyquinolin-6-yl)-2-pyridinyl]methanone
CID 118621557
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone
CID 38390813

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone?
The IUPAC name of 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone (CID 162045053) is 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone.
What is the SMILES notation for 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone?
The canonical SMILES for 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone is O=C(Cc1cncc(-c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)c(Cl)c2)c1)C1CC1.
What is the InChIKey of 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone?
The InChIKey is YXTWOZOGYQVHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4/c26-21-13-18(19-11-16(14-27-15-19)12-22(30)17-1-2-17)3-4-20(21)23(31)28-7-9-29(10-8-28)24(32)25(33)5-6-25/h3-4,11,13-15,17,33H,1-2,5-10,12H2.
What are the key properties of 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone?
2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone has a molecular weight of 467.95 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-chloro-4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-3-pyridinyl]-1-cyclopropylethanone is sourced from PubChem (CID 162045053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).