(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide

C17H35N3O — CID 100881377

IUPAC(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@H](C)N1CCC[C@@H](CN(C)C)C1)C(C)C
InChIInChI=1S/C17H35N3O/c1-13(2)20(14(3)4)17(21)15(5)19-10-8-9-16(12-19)11-18(6)7/h13-16H,8-12H2,1-7H3/t15-,16-/m0/s1
InChIKeyBQEKNVSLOIYTCQ-HOTGVXAUSA-N
MW297.49 g/mol
LogP2.29
Rot. Bonds6

About (2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide

(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide (PubChem CID 100881377) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide
PubChem CID100881377
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@H](C)N1CCC[C@@H](CN(C)C)C1)C(C)C
InChIInChI=1S/C17H35N3O/c1-13(2)20(14(3)4)17(21)15(5)19-10-8-9-16(12-19)11-18(6)7/h13-16H,8-12H2,1-7H3/t15-,16-/m0/s1
InChIKeyBQEKNVSLOIYTCQ-HOTGVXAUSA-N
XLogP2.29
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 100844185
2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 63847237
2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
CID 55210780
2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
CID 96554914
N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 163258201
2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
CID 120728523
1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine
CID 126516325
N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110877728
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
2-chloro-1-[3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 66567923
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide (CID 100881377) is (2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@H](C)N1CCC[C@@H](CN(C)C)C1)C(C)C.
What is the InChIKey of (2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide?
The InChIKey is BQEKNVSLOIYTCQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H35N3O/c1-13(2)20(14(3)4)17(21)15(5)19-10-8-9-16(12-19)11-18(6)7/h13-16H,8-12H2,1-7H3/t15-,16-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide?
(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide has a molecular weight of 297.49 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 100881377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).