(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide

C12H25N3O — CID 119861450

IUPAC(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
SMILESCCCN1CCC(CNC(=O)[C@@H](C)N)CC1
InChIInChI=1S/C12H25N3O/c1-3-6-15-7-4-11(5-8-15)9-14-12(16)10(2)13/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyYCUOKGUJRQZAJO-SNVBAGLBSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds5

About (2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide

(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide (PubChem CID 119861450) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
PubChem CID119861450
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
SMILESCCCN1CCC(CNC(=O)[C@@H](C)N)CC1
InChIInChI=1S/C12H25N3O/c1-3-6-15-7-4-11(5-8-15)9-14-12(16)10(2)13/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyYCUOKGUJRQZAJO-SNVBAGLBSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide
CID 119862705
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119861461
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 79012313
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
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide (CID 119861450) is (2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide is CCCN1CCC(CNC(=O)[C@@H](C)N)CC1.
What is the InChIKey of (2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide?
The InChIKey is YCUOKGUJRQZAJO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-6-15-7-4-11(5-8-15)9-14-12(16)10(2)13/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide?
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 119861450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).