3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide

C17H28N4O — CID 122562542

IUPAC3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide
SMILESCC1CCCCN1C1CN(C(=O)NCCc2cccn2C)C1
InChIInChI=1S/C17H28N4O/c1-14-6-3-4-11-21(14)16-12-20(13-16)17(22)18-9-8-15-7-5-10-19(15)2/h5,7,10,14,16H,3-4,6,8-9,11-13H2,1-2H3,(H,18,22)
InChIKeyDZJJPDOROUQMPB-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.84
Rot. Bonds4

About 3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide

3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide (PubChem CID 122562542) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide
PubChem CID122562542
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide
SMILESCC1CCCCN1C1CN(C(=O)NCCc2cccn2C)C1
InChIInChI=1S/C17H28N4O/c1-14-6-3-4-11-21(14)16-12-20(13-16)17(22)18-9-8-15-7-5-10-19(15)2/h5,7,10,14,16H,3-4,6,8-9,11-13H2,1-2H3,(H,18,22)
InChIKeyDZJJPDOROUQMPB-UHFFFAOYSA-N
XLogP1.84
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
CID 119074138
N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 126423909
(3S)-3-(2,5-dimethoxyphenyl)-N-[2-(1-methylpyrrol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 125438587
3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide
CID 125166113
N-(2-chloro-6-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97268968
N-[3-(furan-2-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125176510
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125445475
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125445358
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 97189656
cis-(1S,2R)-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114185864
N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97454764

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide (CID 122562542) is 3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide is CC1CCCCN1C1CN(C(=O)NCCc2cccn2C)C1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide?
The InChIKey is DZJJPDOROUQMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-6-3-4-11-21(14)16-12-20(13-16)17(22)18-9-8-15-7-5-10-19(15)2/h5,7,10,14,16H,3-4,6,8-9,11-13H2,1-2H3,(H,18,22).
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide?
3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 122562542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).