(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide

C13H28N4O — CID 119895445

IUPAC(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide
SMILESCC[C@H](N)C(=O)NCCN1CCC(N(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-4-12(14)13(18)15-7-10-17-8-5-11(6-9-17)16(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyPLIDHKGTOREKEZ-LBPRGKRZSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds6

About (2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide

(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide (PubChem CID 119895445) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide
PubChem CID119895445
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide
SMILESCC[C@H](N)C(=O)NCCN1CCC(N(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-4-12(14)13(18)15-7-10-17-8-5-11(6-9-17)16(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyPLIDHKGTOREKEZ-LBPRGKRZSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
CID 120613391
(2S)-2-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]butanamide;trihydrochloride
CID 119900995
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119895410
(2S,5R)-5-(aminomethyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 120801194
2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 62476274
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 119895451
(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride
CID 119866906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide (CID 119895445) is (2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide is CC[C@H](N)C(=O)NCCN1CCC(N(C)C)CC1.
What is the InChIKey of (2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide?
The InChIKey is PLIDHKGTOREKEZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-12(14)13(18)15-7-10-17-8-5-11(6-9-17)16(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide?
(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 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)piperidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 119895445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).