(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one

C23H33N3O3 — CID 29152851

IUPAC(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
SMILESCOc1cccc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(C4CCCC4)C3)CC2)c1
InChIInChI=1S/C23H33N3O3/c1-29-21-8-4-5-18(15-21)16-24-11-13-25(14-12-24)23(28)19-9-10-22(27)26(17-19)20-6-2-3-7-20/h4-5,8,15,19-20H,2-3,6-7,9-14,16-17H2,1H3/t19-/m1/s1
InChIKeyVKIVTSMWYOIUHM-LJQANCHMSA-N
MW399.54 g/mol
LogP2.52
Rot. Bonds5

About (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one

(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one (PubChem CID 29152851) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
PubChem CID29152851
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
SMILESCOc1cccc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(C4CCCC4)C3)CC2)c1
InChIInChI=1S/C23H33N3O3/c1-29-21-8-4-5-18(15-21)16-24-11-13-25(14-12-24)23(28)19-9-10-22(27)26(17-19)20-6-2-3-7-20/h4-5,8,15,19-20H,2-3,6-7,9-14,16-17H2,1H3/t19-/m1/s1
InChIKeyVKIVTSMWYOIUHM-LJQANCHMSA-N
XLogP2.52
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
[(3S)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558693
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
(5S)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one
CID 28955608
(4R)-1-[(3-methoxyphenyl)methyl]-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017912
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166249113
[(3R,6S)-6-(dimethylamino)-1-methylazepan-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 165422363
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 93017942
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165435270
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074

Frequently Asked Questions

What is the IUPAC name of (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one (CID 29152851) is (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one is COc1cccc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(C4CCCC4)C3)CC2)c1.
What is the InChIKey of (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is VKIVTSMWYOIUHM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-29-21-8-4-5-18(15-21)16-24-11-13-25(14-12-24)23(28)19-9-10-22(27)26(17-19)20-6-2-3-7-20/h4-5,8,15,19-20H,2-3,6-7,9-14,16-17H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one?
(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 399.54 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 29152851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).