4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide

C23H32N4O2 — CID 42895557

IUPAC4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NCC(c3ccco3)N3CCCC3)CC2)c1C
InChIInChI=1S/C23H32N4O2/c1-18-7-5-8-20(19(18)2)26-12-14-27(15-13-26)23(28)24-17-21(22-9-6-16-29-22)25-10-3-4-11-25/h5-9,16,21H,3-4,10-15,17H2,1-2H3,(H,24,28)
InChIKeyWSCCGOBUASRODD-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.57
Rot. Bonds5

About 4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide

4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide (PubChem CID 42895557) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
PubChem CID42895557
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NCC(c3ccco3)N3CCCC3)CC2)c1C
InChIInChI=1S/C23H32N4O2/c1-18-7-5-8-20(19(18)2)26-12-14-27(15-13-26)23(28)24-17-21(22-9-6-16-29-22)25-10-3-4-11-25/h5-9,16,21H,3-4,10-15,17H2,1-2H3,(H,24,28)
InChIKeyWSCCGOBUASRODD-UHFFFAOYSA-N
XLogP3.57
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 23607196
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
4-[(4-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
CID 31325262
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
CID 134018677
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide (CID 42895557) is 4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)NCC(c3ccco3)N3CCCC3)CC2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide?
The InChIKey is WSCCGOBUASRODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18-7-5-8-20(19(18)2)26-12-14-27(15-13-26)23(28)24-17-21(22-9-6-16-29-22)25-10-3-4-11-25/h5-9,16,21H,3-4,10-15,17H2,1-2H3,(H,24,28).
What are the key properties of 4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide?
4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 42895557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).