1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide

C15H29N3O — CID 120899520

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(CC2(C)CCNC2)C1
InChIInChI=1S/C15H29N3O/c1-3-7-17-14(19)13-5-4-9-18(10-13)12-15(2)6-8-16-11-15/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyRMUYEYWHVBJSDH-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.22
Rot. Bonds5

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

1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide (PubChem CID 120899520) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide
PubChem CID120899520
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(CC2(C)CCNC2)C1
InChIInChI=1S/C15H29N3O/c1-3-7-17-14(19)13-5-4-9-18(10-13)12-15(2)6-8-16-11-15/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyRMUYEYWHVBJSDH-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 120897218
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride
CID 120898475
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 120903015
2,2-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]propanamide;hydrochloride
CID 120899846
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 120899589
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900572
N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120897745
N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride
CID 120902113

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide (CID 120899520) is 1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(CC2(C)CCNC2)C1.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is RMUYEYWHVBJSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-7-17-14(19)13-5-4-9-18(10-13)12-15(2)6-8-16-11-15/h13,16H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide?
1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.22, 5 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]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 120899520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).