3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

C25H32N4O3 — CID 42101690

IUPAC3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCOc1ncccc1C(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C25H32N4O3/c1-32-24-22(8-5-13-26-24)25(31)29-14-11-20(12-15-29)9-10-23(30)28-18-16-27(17-19-28)21-6-3-2-4-7-21/h2-8,13,20H,9-12,14-19H2,1H3
InChIKeyYOJVLZWSYOUNSS-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.07
Rot. Bonds6

About 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 42101690) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID42101690
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCOc1ncccc1C(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C25H32N4O3/c1-32-24-22(8-5-13-26-24)25(31)29-14-11-20(12-15-29)9-10-23(30)28-18-16-27(17-19-28)21-6-3-2-4-7-21/h2-8,13,20H,9-12,14-19H2,1H3
InChIKeyYOJVLZWSYOUNSS-UHFFFAOYSA-N
XLogP3.07
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986
2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 60598831
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 26320267
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114801254
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
3-[[(3S)-1-(2-methoxypyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95727206
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
methyl (4S)-4-[4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidin-1-yl]pentanoate
CID 42533077
1-(4-ethylpiperazin-1-yl)-3-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]propan-1-one
CID 29152168
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 42101690) is 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one is COc1ncccc1C(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is YOJVLZWSYOUNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-32-24-22(8-5-13-26-24)25(31)29-14-11-20(12-15-29)9-10-23(30)28-18-16-27(17-19-28)21-6-3-2-4-7-21/h2-8,13,20H,9-12,14-19H2,1H3.
What are the key properties of 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 436.56 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 42101690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).