1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide

C19H27N3O3 — CID 95309707

IUPAC1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCC1
InChIInChI=1S/C19H27N3O3/c1-20-17(24)19(8-5-9-19)18(25)22-12-10-21(11-13-22)14-16(23)15-6-3-2-4-7-15/h2-4,6-7,16,23H,5,8-14H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyOKLJTBIONVFCBS-INIZCTEOSA-N
MW345.44 g/mol
LogP0.78
Rot. Bonds5

About 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide

1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 95309707) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide
PubChem CID95309707
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCC1
InChIInChI=1S/C19H27N3O3/c1-20-17(24)19(8-5-9-19)18(25)22-12-10-21(11-13-22)14-16(23)15-6-3-2-4-7-15/h2-4,6-7,16,23H,5,8-14H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyOKLJTBIONVFCBS-INIZCTEOSA-N
XLogP0.78
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119879983
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 111105254
(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95601930
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
CID 119880014
2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120596642
1-(azepane-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975396
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide (CID 95309707) is 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide is CNC(=O)C1(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCC1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is OKLJTBIONVFCBS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-20-17(24)19(8-5-9-19)18(25)22-12-10-21(11-13-22)14-16(23)15-6-3-2-4-7-15/h2-4,6-7,16,23H,5,8-14H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide?
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazine-1-carbonyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 95309707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).