(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide

C18H29N3O — CID 96553063

IUPAC(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
SMILESCCN(C[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[C@H](C)N
InChIInChI=1S/C18H29N3O/c1-3-21(18(22)15(2)19)14-17-10-7-11-20(13-17)12-16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14,19H2,1-2H3/t15-,17+/m0/s1
InChIKeyOQAPIUONOOXKQG-DOTOQJQBSA-N
MW303.45 g/mol
LogP2.09
Rot. Bonds6

About (2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide

(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide (PubChem CID 96553063) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
PubChem CID96553063
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
SMILESCCN(C[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[C@H](C)N
InChIInChI=1S/C18H29N3O/c1-3-21(18(22)15(2)19)14-17-10-7-11-20(13-17)12-16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14,19H2,1-2H3/t15-,17+/m0/s1
InChIKeyOQAPIUONOOXKQG-DOTOQJQBSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide
CID 77143822
(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
CID 66565271
2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
CID 77143825
2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
CID 66565227
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96552793
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
CID 119897569
benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate
CID 96554011
diethyl 2-[(1-benzylpiperidin-3-yl)methyl]propanedioate
CID 2780386
1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
CID 83982592
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide (CID 96553063) is (2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide is CCN(C[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide?
The InChIKey is OQAPIUONOOXKQG-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-21(18(22)15(2)19)14-17-10-7-11-20(13-17)12-16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14,19H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of (2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide?
(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide has a molecular weight of 303.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide is sourced from PubChem (CID 96553063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).