4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide

C12H18ClN3O — CID 79721407

IUPAC4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C12H18ClN3O/c1-16(8-9-2-4-14-5-3-9)12(17)11-6-10(13)7-15-11/h6-7,9,14-15H,2-5,8H2,1H3
InChIKeyWEJURTOEVNWMSA-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.74
Rot. Bonds3

About 4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide

4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 79721407) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID79721407
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C12H18ClN3O/c1-16(8-9-2-4-14-5-3-9)12(17)11-6-10(13)7-15-11/h6-7,9,14-15H,2-5,8H2,1H3
InChIKeyWEJURTOEVNWMSA-UHFFFAOYSA-N
XLogP1.74
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-nitro-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 79716251
5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 65367180
3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 103209645
4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 36555948
N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
CID 37366114
N-methyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 79721118
4-chloro-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 129006417
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119652529
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
CID 116651837
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 114021512
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide (CID 79721407) is 4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide is CN(CC1CCNCC1)C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WEJURTOEVNWMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-16(8-9-2-4-14-5-3-9)12(17)11-6-10(13)7-15-11/h6-7,9,14-15H,2-5,8H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 79721407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).