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

C18H29N3O — CID 77143825

IUPAC2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
SMILESCCN(CC1CCCCN1Cc1ccccc1)C(=O)C(C)N
InChIInChI=1S/C18H29N3O/c1-3-20(18(22)15(2)19)14-17-11-7-8-12-21(17)13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-14,19H2,1-2H3
InChIKeyGICXNEJWZRLKES-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.24
Rot. Bonds6

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

2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide (PubChem CID 77143825) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
PubChem CID77143825
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
SMILESCCN(CC1CCCCN1Cc1ccccc1)C(=O)C(C)N
InChIInChI=1S/C18H29N3O/c1-3-20(18(22)15(2)19)14-17-11-7-8-12-21(17)13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-14,19H2,1-2H3
InChIKeyGICXNEJWZRLKES-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

(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
CID 66565271
(2S)-2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethyl-3-methylbutanamide
CID 96553087
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226081
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
CID 96553026
2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-methylpropanamide
CID 121226071
(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide
CID 96553072
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
CID 96553063
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide
CID 77143822
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
CID 96552846
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine
CID 96552855
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide?
The IUPAC name of 2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide (CID 77143825) is 2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide.
What is the SMILES notation for 2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide?
The canonical SMILES for 2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide is CCN(CC1CCCCN1Cc1ccccc1)C(=O)C(C)N.
What is the InChIKey of 2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide?
The InChIKey is GICXNEJWZRLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-20(18(22)15(2)19)14-17-11-7-8-12-21(17)13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-14,19H2,1-2H3.
What are the key properties of 2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide?
2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide 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-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide is sourced from PubChem (CID 77143825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).