N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide

C18H24N4O2 — CID 10087901

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-24-17-7-3-2-6-16(17)22-13-11-21(12-14-22)10-9-20-18(23)15-5-4-8-19-15/h2-8,19H,9-14H2,1H3,(H,20,23)
InChIKeyQCDUWXTWVDOIDM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.58
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 10087901) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID10087901
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-24-17-7-3-2-6-16(17)22-13-11-21(12-14-22)10-9-20-18(23)15-5-4-8-19-15/h2-8,19H,9-14H2,1H3,(H,20,23)
InChIKeyQCDUWXTWVDOIDM-UHFFFAOYSA-N
XLogP1.58
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide (CID 10087901) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2ccc[nH]2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QCDUWXTWVDOIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-17-7-3-2-6-16(17)22-13-11-21(12-14-22)10-9-20-18(23)15-5-4-8-19-15/h2-8,19H,9-14H2,1H3,(H,20,23).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10087901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).