4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide

C15H24ClN3O — CID 60805388

IUPAC4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Cl)cn1C(C)C)C1CCNCC1
InChIInChI=1S/C15H24ClN3O/c1-4-18(13-5-7-17-8-6-13)15(20)14-9-12(16)10-19(14)11(2)3/h9-11,13,17H,4-8H2,1-3H3
InChIKeyZCSBTQYBDNBANP-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.94
Rot. Bonds4

About 4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide

4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 60805388) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID60805388
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Cl)cn1C(C)C)C1CCNCC1
InChIInChI=1S/C15H24ClN3O/c1-4-18(13-5-7-17-8-6-13)15(20)14-9-12(16)10-19(14)11(2)3/h9-11,13,17H,4-8H2,1-3H3
InChIKeyZCSBTQYBDNBANP-UHFFFAOYSA-N
XLogP2.94
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 60807794
4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 60807774
4-chloro-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63300921
4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299472
4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299114
3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 60806736
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
N-ethyl-N-piperidin-4-yl-4-propan-2-ylbenzamide
CID 60805737
N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 66188396
4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61233626
4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 62335560
N-ethyl-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 60807095

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide (CID 60805388) is 4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide is CCN(C(=O)c1cc(Cl)cn1C(C)C)C1CCNCC1.
What is the InChIKey of 4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is ZCSBTQYBDNBANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-18(13-5-7-17-8-6-13)15(20)14-9-12(16)10-19(14)11(2)3/h9-11,13,17H,4-8H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide?
4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 60805388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).