4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide

C14H21Cl2N3O — CID 79720994

IUPAC4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C14H21Cl2N3O/c1-2-7-19(9-10-3-5-17-6-4-10)14(20)12-8-11(15)13(16)18-12/h8,10,17-18H,2-7,9H2,1H3
InChIKeyFFIKTHBRDBWLQP-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.17
Rot. Bonds5

About 4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide (PubChem CID 79720994) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
PubChem CID79720994
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C14H21Cl2N3O/c1-2-7-19(9-10-3-5-17-6-4-10)14(20)12-8-11(15)13(16)18-12/h8,10,17-18H,2-7,9H2,1H3
InChIKeyFFIKTHBRDBWLQP-UHFFFAOYSA-N
XLogP3.17
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702379
5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720777
4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79702373
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide
CID 79701435
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695
4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106608927
5-methyl-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-carboxamide
CID 79720330
4-methoxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702846
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide (CID 79720994) is 4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide is CCCN(CC1CCNCC1)C(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is FFIKTHBRDBWLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-2-7-19(9-10-3-5-17-6-4-10)14(20)12-8-11(15)13(16)18-12/h8,10,17-18H,2-7,9H2,1H3.
What are the key properties of 4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 318.25 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 79720994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).