2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone

C18H29N3O — CID 66567140

IUPAC2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(C)N(Cc1ccccc1)CC1CCCCN1C(=O)CN
InChIInChI=1S/C18H29N3O/c1-15(2)20(13-16-8-4-3-5-9-16)14-17-10-6-7-11-21(17)18(22)12-19/h3-5,8-9,15,17H,6-7,10-14,19H2,1-2H3
InChIKeySLSLEVBACFIQHJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.24
Rot. Bonds6

About 2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone

2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone (PubChem CID 66567140) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
PubChem CID66567140
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(C)N(Cc1ccccc1)CC1CCCCN1C(=O)CN
InChIInChI=1S/C18H29N3O/c1-15(2)20(13-16-8-4-3-5-9-16)14-17-10-6-7-11-21(17)18(22)12-19/h3-5,8-9,15,17H,6-7,10-14,19H2,1-2H3
InChIKeySLSLEVBACFIQHJ-UHFFFAOYSA-N
XLogP2.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-[[benzyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554342
benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate
CID 96553990
benzyl (2R)-2-[[(2-aminoacetyl)-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 96552631
benzyl N-[[1-(2-chloroacetyl)pyrrolidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566627
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503471
(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 67649850
2-amino-1-[2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144167
2-amino-1-[2-[[benzyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 77144158
benzyl (2R)-2-[[[(2S)-2-aminopropanoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 96552692
tert-butyl N-[[1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566227
benzyl 2-[[(2-chloroacetyl)-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 66564747

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone (CID 66567140) is 2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone is CC(C)N(Cc1ccccc1)CC1CCCCN1C(=O)CN.
What is the InChIKey of 2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is SLSLEVBACFIQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(2)20(13-16-8-4-3-5-9-16)14-17-10-6-7-11-21(17)18(22)12-19/h3-5,8-9,15,17H,6-7,10-14,19H2,1-2H3.
What are the key properties of 2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 303.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66567140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).