[4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone

C20H29N3O2 — CID 136573857

IUPAC[4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone
SMILESO=C(C1NCCCC1c1ccccc1)N1CCN(C2CCOC2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(23-12-10-22(11-13-23)17-8-14-25-15-17)19-18(7-4-9-21-19)16-5-2-1-3-6-16/h1-3,5-6,17-19,21H,4,7-15H2
InChIKeyAPQJTHFVBXVNBJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.46
Rot. Bonds3

About [4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone

[4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone (PubChem CID 136573857) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone
PubChem CID136573857
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone
SMILESO=C(C1NCCCC1c1ccccc1)N1CCN(C2CCOC2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(23-12-10-22(11-13-23)17-8-14-25-15-17)19-18(7-4-9-21-19)16-5-2-1-3-6-16/h1-3,5-6,17-19,21H,4,7-15H2
InChIKeyAPQJTHFVBXVNBJ-UHFFFAOYSA-N
XLogP1.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone
CID 23531937
N-benzyl-4-(oxolan-3-yl)-1,4-diazepane-1-carboxamide
CID 134160951
3-(3-carboxyphenyl)piperidine-2-carboxylic acid
CID 165483280
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120942235
[(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 143724846
(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
CID 59117548
(E)-1-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 134161747
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 141117001
(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336209
4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide
CID 126784702
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone?
The IUPAC name of [4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone (CID 136573857) is [4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone.
What is the SMILES notation for [4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone?
The canonical SMILES for [4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone is O=C(C1NCCCC1c1ccccc1)N1CCN(C2CCOC2)CC1.
What is the InChIKey of [4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone?
The InChIKey is APQJTHFVBXVNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(23-12-10-22(11-13-23)17-8-14-25-15-17)19-18(7-4-9-21-19)16-5-2-1-3-6-16/h1-3,5-6,17-19,21H,4,7-15H2.
What are the key properties of [4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone?
[4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone has a molecular weight of 343.47 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone is sourced from PubChem (CID 136573857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).