2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide

C19H31N3O — CID 121226081

IUPAC2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
SMILESCC(N)C(=O)N(C[C@@H]1CCCCN1Cc1ccccc1)C(C)C
InChIInChI=1S/C19H31N3O/c1-15(2)22(19(23)16(3)20)14-18-11-7-8-12-21(18)13-17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14,20H2,1-3H3/t16?,18-/m0/s1
InChIKeyYIQASBBKTYHADB-DAFXYXGESA-N
MW317.48 g/mol
LogP2.63
Rot. Bonds6

About 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide

2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide (PubChem CID 121226081) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
PubChem CID121226081
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
SMILESCC(N)C(=O)N(C[C@@H]1CCCCN1Cc1ccccc1)C(C)C
InChIInChI=1S/C19H31N3O/c1-15(2)22(19(23)16(3)20)14-18-11-7-8-12-21(18)13-17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14,20H2,1-3H3/t16?,18-/m0/s1
InChIKeyYIQASBBKTYHADB-DAFXYXGESA-N
XLogP2.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
CID 77143825
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
(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
CID 66565271
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2-chloro-N-propan-2-ylacetamide
CID 96552886
(2S)-2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethyl-3-methylbutanamide
CID 96553087
benzyl (2R)-2-[[[(2S)-2-aminopropanoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 96552692
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine
CID 96552855
2-[2-[[phenylmethoxycarbonyl(propan-2-yl)amino]methyl]piperidin-1-yl]acetic acid
CID 66566911
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
CID 96553026
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide (CID 121226081) is 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide is CC(N)C(=O)N(C[C@@H]1CCCCN1Cc1ccccc1)C(C)C.
What is the InChIKey of 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide?
The InChIKey is YIQASBBKTYHADB-DAFXYXGESA-N. The full InChI is InChI=1S/C19H31N3O/c1-15(2)22(19(23)16(3)20)14-18-11-7-8-12-21(18)13-17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14,20H2,1-3H3/t16?,18-/m0/s1.
What are the key properties of 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide?
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide has a molecular weight of 317.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 121226081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).