N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide

C19H30N4O2 — CID 97091572

IUPACN-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)CN(C)Cc2cccc(N(C)C)c2)C1
InChIInChI=1S/C19H30N4O2/c1-15(24)20-17-8-6-10-23(13-17)19(25)14-22(4)12-16-7-5-9-18(11-16)21(2)3/h5,7,9,11,17H,6,8,10,12-14H2,1-4H3,(H,20,24)/t17-/m1/s1
InChIKeyPPARKCOQXXHWOC-QGZVFWFLSA-N
MW346.48 g/mol
LogP1.31
Rot. Bonds6

About N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide

N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide (PubChem CID 97091572) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide
PubChem CID97091572
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)CN(C)Cc2cccc(N(C)C)c2)C1
InChIInChI=1S/C19H30N4O2/c1-15(24)20-17-8-6-10-23(13-17)19(25)14-22(4)12-16-7-5-9-18(11-16)21(2)3/h5,7,9,11,17H,6,8,10,12-14H2,1-4H3,(H,20,24)/t17-/m1/s1
InChIKeyPPARKCOQXXHWOC-QGZVFWFLSA-N
XLogP1.31
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734
N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide
CID 154741836
2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 79670313
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide
CID 97098486
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575046
N-[(3R)-1-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 97098448
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 43248801
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 125015209

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide (CID 97091572) is N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(C(=O)CN(C)Cc2cccc(N(C)C)c2)C1.
What is the InChIKey of N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide?
The InChIKey is PPARKCOQXXHWOC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(24)20-17-8-6-10-23(13-17)19(25)14-22(4)12-16-7-5-9-18(11-16)21(2)3/h5,7,9,11,17H,6,8,10,12-14H2,1-4H3,(H,20,24)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide?
N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-[[3-(dimethylamino)phenyl]methyl-methylamino]acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97091572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).