1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide

C12H23N3O — CID 120897194

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
SMILESCC1(CN2CCCC(C(N)=O)C2)CCNC1
InChIInChI=1S/C12H23N3O/c1-12(4-5-14-8-12)9-15-6-2-3-10(7-15)11(13)16/h10,14H,2-9H2,1H3,(H2,13,16)
InChIKeyAQLOHXXXPTZXNY-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.18
Rot. Bonds3

About 1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide

1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 120897194) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
PubChem CID120897194
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
SMILESCC1(CN2CCCC(C(N)=O)C2)CCNC1
InChIInChI=1S/C12H23N3O/c1-12(4-5-14-8-12)9-15-6-2-3-10(7-15)11(13)16/h10,14H,2-9H2,1H3,(H2,13,16)
InChIKeyAQLOHXXXPTZXNY-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 120899520
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride
CID 120898475
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 120897218
1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120897382
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609
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-4-yl]cyclohexanecarboxamide
CID 120903015
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
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 120899589

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide (CID 120897194) is 1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide is CC1(CN2CCCC(C(N)=O)C2)CCNC1.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is AQLOHXXXPTZXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(4-5-14-8-12)9-15-6-2-3-10(7-15)11(13)16/h10,14H,2-9H2,1H3,(H2,13,16).
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 120897194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).