2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide

C13H28N4O — CID 119862705

IUPAC2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide
SMILESCC(N)C(=O)NCC1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-11(14)13(18)15-10-12-4-6-17(7-5-12)9-8-16(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyFSERQMVZJQSSCJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.28
Rot. Bonds6

About 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide

2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide (PubChem CID 119862705) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide
PubChem CID119862705
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide
SMILESCC(N)C(=O)NCC1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-11(14)13(18)15-10-12-4-6-17(7-5-12)9-8-16(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyFSERQMVZJQSSCJ-UHFFFAOYSA-N
XLogP-0.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798977
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
(2R)-2-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 119336692
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862726
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697
(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide
CID 61149354
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide (CID 119862705) is 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide is CC(N)C(=O)NCC1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is FSERQMVZJQSSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-11(14)13(18)15-10-12-4-6-17(7-5-12)9-8-16(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,18).
What are the key properties of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide?
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 256.39 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 119862705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).