N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide

C16H25N3OS — CID 62273221

IUPACN-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCCC1C1CCCN1
InChIInChI=1S/C16H25N3OS/c1-18(10-13-6-9-21-12-13)16(20)11-19-8-3-5-15(19)14-4-2-7-17-14/h6,9,12,14-15,17H,2-5,7-8,10-11H2,1H3
InChIKeyQNKOJZZESJZNFZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 62273221) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID62273221
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCCC1C1CCCN1
InChIInChI=1S/C16H25N3OS/c1-18(10-13-6-9-21-12-13)16(20)11-19-8-3-5-15(19)14-4-2-7-17-14/h6,9,12,14-15,17H,2-5,7-8,10-11H2,1H3
InChIKeyQNKOJZZESJZNFZ-UHFFFAOYSA-N
XLogP1.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102681794
N-ethyl-N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273210
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
2-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009991
2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 63255809
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102977518
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 106744854
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62357316
N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103442053

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide (CID 62273221) is N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN1CCCC1C1CCCN1.
What is the InChIKey of N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is QNKOJZZESJZNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-18(10-13-6-9-21-12-13)16(20)11-19-8-3-5-15(19)14-4-2-7-17-14/h6,9,12,14-15,17H,2-5,7-8,10-11H2,1H3.
What are the key properties of N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 307.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 62273221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).