N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C20H33N5O — CID 29000981

IUPACN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN1CCC(N2CCC[C@@H](NC(=O)CN(C)Cc3cccnc3)C2)CC1
InChIInChI=1S/C20H33N5O/c1-23-11-7-19(8-12-23)25-10-4-6-18(15-25)22-20(26)16-24(2)14-17-5-3-9-21-13-17/h3,5,9,13,18-19H,4,6-8,10-12,14-16H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyKOSYPTBXYDEEQA-GOSISDBHSA-N
MW359.52 g/mol
LogP1.19
Rot. Bonds6

About N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 29000981) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID29000981
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN1CCC(N2CCC[C@@H](NC(=O)CN(C)Cc3cccnc3)C2)CC1
InChIInChI=1S/C20H33N5O/c1-23-11-7-19(8-12-23)25-10-4-6-18(15-25)22-20(26)16-24(2)14-17-5-3-9-21-13-17/h3,5,9,13,18-19H,4,6-8,10-12,14-16H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyKOSYPTBXYDEEQA-GOSISDBHSA-N
XLogP1.19
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-2-ylpiperidin-3-yl)acetamide
CID 110107098
N-(1-cyclohexylpiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 118788376
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone
CID 124977060
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45178828
(3R)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95562765
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805
N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56864333
(3S)-N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95463543
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29085480

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 29000981) is N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is CN1CCC(N2CCC[C@@H](NC(=O)CN(C)Cc3cccnc3)C2)CC1.
What is the InChIKey of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is KOSYPTBXYDEEQA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33N5O/c1-23-11-7-19(8-12-23)25-10-4-6-18(15-25)22-20(26)16-24(2)14-17-5-3-9-21-13-17/h3,5,9,13,18-19H,4,6-8,10-12,14-16H2,1-2H3,(H,22,26)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 359.52 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 29000981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).