(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide

C20H29N3O3 — CID 124949534

IUPAC(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CCN1C
InChIInChI=1S/C20H29N3O3/c1-21(2)18(24)17-15-23(12-11-22(17)3)19(25)20(9-13-26-14-10-20)16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3/t17-/m1/s1
InChIKeyCUSHSAMEZZUHIK-QGZVFWFLSA-N
MW359.47 g/mol
LogP0.97
Rot. Bonds3

About (2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide

(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide (PubChem CID 124949534) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide
PubChem CID124949534
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CCN1C
InChIInChI=1S/C20H29N3O3/c1-21(2)18(24)17-15-23(12-11-22(17)3)19(25)20(9-13-26-14-10-20)16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3/t17-/m1/s1
InChIKeyCUSHSAMEZZUHIK-QGZVFWFLSA-N
XLogP0.97
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 71927745
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 121134836
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 124998730
[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268
[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 100757035
(3-anilinopyrrolidin-1-yl)-[4-(4-bromophenyl)oxan-4-yl]methanone
CID 56580619
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122335188
morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476
(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121018084

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide (CID 124949534) is (2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide is CN(C)C(=O)[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CCN1C.
What is the InChIKey of (2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is CUSHSAMEZZUHIK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-21(2)18(24)17-15-23(12-11-22(17)3)19(25)20(9-13-26-14-10-20)16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide?
(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 124949534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).