(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide

C14H29N3O — CID 119894084

IUPAC(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)N(C)CCC1CCCCN1C
InChIInChI=1S/C14H29N3O/c1-11(2)13(15)14(18)17(4)10-8-12-7-5-6-9-16(12)3/h11-13H,5-10,15H2,1-4H3/t12?,13-/m0/s1
InChIKeyNWYNAYXXIXGUIH-ABLWVSNPSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds5

About (2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide

(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide (PubChem CID 119894084) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
PubChem CID119894084
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)N(C)CCC1CCCCN1C
InChIInChI=1S/C14H29N3O/c1-11(2)13(15)14(18)17(4)10-8-12-7-5-6-9-16(12)3/h11-13H,5-10,15H2,1-4H3/t12?,13-/m0/s1
InChIKeyNWYNAYXXIXGUIH-ABLWVSNPSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934
(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride
CID 119894079
2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide
CID 121226139
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417
(2S)-2-amino-3-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylbutanamide
CID 66565957
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
CID 60838965
(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 119894086
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]urea
CID 111507577
3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride
CID 119894091
ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62012811

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide (CID 119894084) is (2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide is CC(C)[C@H](N)C(=O)N(C)CCC1CCCCN1C.
What is the InChIKey of (2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide?
The InChIKey is NWYNAYXXIXGUIH-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)13(15)14(18)17(4)10-8-12-7-5-6-9-16(12)3/h11-13H,5-10,15H2,1-4H3/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide?
(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide is sourced from PubChem (CID 119894084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).