[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone

C19H29N3O2 — CID 120800062

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)[C@@H]2CC[C@H](CN)O2)CCN1Cc1ccccc1
InChIInChI=1S/C19H29N3O2/c1-19(2)14-21(18(23)17-9-8-16(12-20)24-17)10-11-22(19)13-15-6-4-3-5-7-15/h3-7,16-17H,8-14,20H2,1-2H3/t16-,17+/m1/s1
InChIKeyIFCPZSQZNZHRQC-SJORKVTESA-N
MW331.46 g/mol
LogP1.62
Rot. Bonds4

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120800062) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone
PubChem CID120800062
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)[C@@H]2CC[C@H](CN)O2)CCN1Cc1ccccc1
InChIInChI=1S/C19H29N3O2/c1-19(2)14-21(18(23)17-9-8-16(12-20)24-17)10-11-22(19)13-15-6-4-3-5-7-15/h3-7,16-17H,8-14,20H2,1-2H3/t16-,17+/m1/s1
InChIKeyIFCPZSQZNZHRQC-SJORKVTESA-N
XLogP1.62
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795669
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methanone;dihydrochloride
CID 120800295
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 120790290
4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 120788633
1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 167400886
7-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)heptan-1-one
CID 119878630
[4-(aminomethyl)oxan-4-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120941187
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 120788310
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 120790270
4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one
CID 120565406
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-phenylacetamide
CID 120797578
4-[(4-benzyl-3,3-dimethylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024819

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone (CID 120800062) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone is CC1(C)CN(C(=O)[C@@H]2CC[C@H](CN)O2)CCN1Cc1ccccc1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is IFCPZSQZNZHRQC-SJORKVTESA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2)14-21(18(23)17-9-8-16(12-20)24-17)10-11-22(19)13-15-6-4-3-5-7-15/h3-7,16-17H,8-14,20H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 331.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120800062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).