[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone

C19H29N3O3 — CID 120799990

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc(C(C)N2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-14(15-4-3-5-16(12-15)24-2)21-8-10-22(11-9-21)19(23)18-7-6-17(13-20)25-18/h3-5,12,14,17-18H,6-11,13,20H2,1-2H3/t14?,17-,18+/m1/s1
InChIKeyRCMBMVOOUOHLJC-QIWLAUOQSA-N
MW347.46 g/mol
LogP1.41
Rot. Bonds5

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 120799990) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
PubChem CID120799990
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc(C(C)N2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-14(15-4-3-5-16(12-15)24-2)21-8-10-22(11-9-21)19(23)18-7-6-17(13-20)25-18/h3-5,12,14,17-18H,6-11,13,20H2,1-2H3/t14?,17-,18+/m1/s1
InChIKeyRCMBMVOOUOHLJC-QIWLAUOQSA-N
XLogP1.41
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877596
3-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119877620
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 120796996
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120796726
[5-(aminomethyl)oxolan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 169493694
(3-aminophenyl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119877606
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 120799295
4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 120788633
3-(2-aminophenyl)-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 120612989
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120797474
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 120786231

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone (CID 120799990) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone is COc1cccc(C(C)N2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)c1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is RCMBMVOOUOHLJC-QIWLAUOQSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(15-4-3-5-16(12-15)24-2)21-8-10-22(11-9-21)19(23)18-7-6-17(13-20)25-18/h3-5,12,14,17-18H,6-11,13,20H2,1-2H3/t14?,17-,18+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 120799990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).