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

C14H27N3O — CID 120897218

IUPACN-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(CC2(C)CCNC2)C1
InChIInChI=1S/C14H27N3O/c1-12(18)16-8-13-4-3-7-17(9-13)11-14(2)5-6-15-10-14/h13,15H,3-11H2,1-2H3,(H,16,18)
InChIKeyLNIWKWOBZLJCIB-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.83
Rot. Bonds4

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

N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 120897218) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
PubChem CID120897218
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(CC2(C)CCNC2)C1
InChIInChI=1S/C14H27N3O/c1-12(18)16-8-13-4-3-7-17(9-13)11-14(2)5-6-15-10-14/h13,15H,3-11H2,1-2H3,(H,16,18)
InChIKeyLNIWKWOBZLJCIB-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 120899589
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride
CID 120898475
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 120899520
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900572
3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899331
4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
CID 120905741
2,2-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]propanamide;hydrochloride
CID 120899846
3-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122767
N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
CID 58877734
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide (CID 120897218) is N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(CC2(C)CCNC2)C1.
What is the InChIKey of N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is LNIWKWOBZLJCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(18)16-8-13-4-3-7-17(9-13)11-14(2)5-6-15-10-14/h13,15H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide?
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 0.83, 4 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]methyl]acetamide is sourced from PubChem (CID 120897218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).