4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide

C14H22ClN3O2 — CID 71879931

IUPAC4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cc(Cl)c[nH]2)CC1
InChIInChI=1S/C14H22ClN3O2/c1-20-7-6-18-4-2-11(3-5-18)9-17-14(19)13-8-12(15)10-16-13/h8,10-11,16H,2-7,9H2,1H3,(H,17,19)
InChIKeyUNISMWAKLSUHAT-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.76
Rot. Bonds6

About 4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 71879931) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID71879931
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cc(Cl)c[nH]2)CC1
InChIInChI=1S/C14H22ClN3O2/c1-20-7-6-18-4-2-11(3-5-18)9-17-14(19)13-8-12(15)10-16-13/h8,10-11,16H,2-7,9H2,1H3,(H,17,19)
InChIKeyUNISMWAKLSUHAT-UHFFFAOYSA-N
XLogP1.76
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide (CID 71879931) is 4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide is COCCN1CCC(CNC(=O)c2cc(Cl)c[nH]2)CC1.
What is the InChIKey of 4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UNISMWAKLSUHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-20-7-6-18-4-2-11(3-5-18)9-17-14(19)13-8-12(15)10-16-13/h8,10-11,16H,2-7,9H2,1H3,(H,17,19).
What are the key properties of 4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71879931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).