(2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide

C15H30N4O2 — CID 82963766

IUPAC(2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-11(2)14(16)15(21)17-9-13(20)19-7-5-12(6-8-19)10-18(3)4/h11-12,14H,5-10,16H2,1-4H3,(H,17,21)/t14-/m0/s1
InChIKeyGLXQYECPDIEFCN-AWEZNQCLSA-N
MW298.43 g/mol
LogP-0.11
Rot. Bonds6

About (2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82963766) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide
PubChem CID82963766
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name(2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-11(2)14(16)15(21)17-9-13(20)19-7-5-12(6-8-19)10-18(3)4/h11-12,14H,5-10,16H2,1-4H3,(H,17,21)/t14-/m0/s1
InChIKeyGLXQYECPDIEFCN-AWEZNQCLSA-N
XLogP-0.11
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
(2S)-2-amino-N-[2-(azepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82959424
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119852035
(2S)-N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-amino-3-methylbutanamide
CID 82963322
(2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82961583
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
(2S)-2-amino-N-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962160
(2S)-2-amino-N-[2-(4,4-dimethylazepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962022
(2S)-2-amino-N-[2-[cyclopropyl(cyclopropylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961326
(2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide
CID 102743749
(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
CID 82962339
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide (CID 82963766) is (2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(CN(C)C)CC1.
What is the InChIKey of (2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is GLXQYECPDIEFCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-11(2)14(16)15(21)17-9-13(20)19-7-5-12(6-8-19)10-18(3)4/h11-12,14H,5-10,16H2,1-4H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 298.43 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82963766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).