N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide

C17H28N4O — CID 154873870

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCN(CC(=O)NCc2ccc(N(C)C)nc2)C1
InChIInChI=1S/C17H28N4O/c1-4-14-6-5-9-21(12-14)13-17(22)19-11-15-7-8-16(18-10-15)20(2)3/h7-8,10,14H,4-6,9,11-13H2,1-3H3,(H,19,22)
InChIKeyJMSFYPUZADTPQZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.89
Rot. Bonds6

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide (PubChem CID 154873870) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide
PubChem CID154873870
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCN(CC(=O)NCc2ccc(N(C)C)nc2)C1
InChIInChI=1S/C17H28N4O/c1-4-14-6-5-9-21(12-14)13-17(22)19-11-15-7-8-16(18-10-15)20(2)3/h7-8,10,14H,4-6,9,11-13H2,1-3H3,(H,19,22)
InChIKeyJMSFYPUZADTPQZ-UHFFFAOYSA-N
XLogP1.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate
CID 95307367
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972269
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119850298
2-(3-ethylpiperidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 78897691
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120728492
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126
N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850310
2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626413
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110020180
methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate
CID 155956657
2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide
CID 55620966

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide (CID 154873870) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide is CCC1CCCN(CC(=O)NCc2ccc(N(C)C)nc2)C1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide?
The InChIKey is JMSFYPUZADTPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-14-6-5-9-21(12-14)13-17(22)19-11-15-7-8-16(18-10-15)20(2)3/h7-8,10,14H,4-6,9,11-13H2,1-3H3,(H,19,22).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 154873870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).