4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide

C21H29N5O3 — CID 86916778

IUPAC4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide
SMILESCN(C)C(CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C21H29N5O3/c1-24(2)18(19-9-6-14-29-19)15-22-21(28)26-12-10-25(11-13-26)16-20(27)23-17-7-4-3-5-8-17/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyKPKVQZMEIAMYRF-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.85
Rot. Bonds7

About 4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide

4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 86916778) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID86916778
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide
SMILESCN(C)C(CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C21H29N5O3/c1-24(2)18(19-9-6-14-29-19)15-22-21(28)26-12-10-25(11-13-26)16-20(27)23-17-7-4-3-5-8-17/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyKPKVQZMEIAMYRF-UHFFFAOYSA-N
XLogP1.85
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 122566101
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide
CID 94171912
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 51075225
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001
2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 55823292
4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 31065316
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide (CID 86916778) is 4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide is CN(C)C(CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)c1ccco1.
What is the InChIKey of 4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is KPKVQZMEIAMYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-24(2)18(19-9-6-14-29-19)15-22-21(28)26-12-10-25(11-13-26)16-20(27)23-17-7-4-3-5-8-17/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,22,28)(H,23,27).
What are the key properties of 4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide?
4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 86916778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).