N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride

C13H26ClN3O — CID 120898475

IUPACN-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)NC1CCCN(CC2(C)CCNC2)C1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-11(17)15-12-4-3-7-16(8-12)10-13(2)5-6-14-9-13;/h12,14H,3-10H2,1-2H3,(H,15,17);1H
InChIKeyYEJKJXLYEVXYMR-UHFFFAOYSA-N
MW275.82 g/mol
LogP1.01
Rot. Bonds3

About N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride

N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride (PubChem CID 120898475) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride
PubChem CID120898475
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC NameN-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)NC1CCCN(CC2(C)CCNC2)C1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-11(17)15-12-4-3-7-16(8-12)10-13(2)5-6-14-9-13;/h12,14H,3-10H2,1-2H3,(H,15,17);1H
InChIKeyYEJKJXLYEVXYMR-UHFFFAOYSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]propanamide;hydrochloride
CID 120899846
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 120897218
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 120899520
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 120903015
1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride
CID 120899475
2-cyclopentyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
CID 120903296
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride
CID 120902113
N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120899912
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride (CID 120898475) is N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride is CC(=O)NC1CCCN(CC2(C)CCNC2)C1.Cl.
What is the InChIKey of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride?
The InChIKey is YEJKJXLYEVXYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-11(17)15-12-4-3-7-16(8-12)10-13(2)5-6-14-9-13;/h12,14H,3-10H2,1-2H3,(H,15,17);1H.
What are the key properties of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride?
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 120898475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).