4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide

C13H25N3O — CID 103977255

IUPAC4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)C2CCNC2)CC1
InChIInChI=1S/C13H25N3O/c1-10-4-7-16(8-5-10)13(17)15-11(2)12-3-6-14-9-12/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyXOTSJNJOCXNQAF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.43
Rot. Bonds2

About 4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide

4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide (PubChem CID 103977255) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
PubChem CID103977255
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)C2CCNC2)CC1
InChIInChI=1S/C13H25N3O/c1-10-4-7-16(8-5-10)13(17)15-11(2)12-3-6-14-9-12/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyXOTSJNJOCXNQAF-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide
CID 113360894
3-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 103977249
N-(1-pyrrolidin-3-ylethyl)morpholine-4-carboxamide
CID 103977253
N-(1-piperidin-3-ylethyl)piperidine-1-carboxamide
CID 79155447
4-methyl-N-[1-(oxan-4-yl)ethyl]piperidine-1-carboxamide
CID 113258503
N-(dicyclopropylmethyl)-4-methylpiperidine-1-carboxamide
CID 113224116
2-cyclopropyl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977089
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 116674207
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977252
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide (CID 103977255) is 4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide is CC1CCN(C(=O)NC(C)C2CCNC2)CC1.
What is the InChIKey of 4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide?
The InChIKey is XOTSJNJOCXNQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-4-7-16(8-5-10)13(17)15-11(2)12-3-6-14-9-12/h10-12,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide?
4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 103977255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).