4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide

C20H24N4O2 — CID 30705203

IUPAC4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2cccc3ccccc23)CC1)NC1CC1
InChIInChI=1S/C20H24N4O2/c25-19(21-16-8-9-16)14-23-10-12-24(13-11-23)20(26)22-18-7-3-5-15-4-1-2-6-17(15)18/h1-7,16H,8-14H2,(H,21,25)(H,22,26)
InChIKeyGRLRKCPBMKRLMP-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.27
Rot. Bonds4

About 4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide

4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide (PubChem CID 30705203) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
PubChem CID30705203
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2cccc3ccccc23)CC1)NC1CC1
InChIInChI=1S/C20H24N4O2/c25-19(21-16-8-9-16)14-23-10-12-24(13-11-23)20(26)22-18-7-3-5-15-4-1-2-6-17(15)18/h1-7,16H,8-14H2,(H,21,25)(H,22,26)
InChIKeyGRLRKCPBMKRLMP-UHFFFAOYSA-N
XLogP2.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86986351
N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 17445165
N-naphthalen-1-yl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 17465723
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
N-cyclopropyl-2-[4-[(Z)-3-naphthalen-1-ylprop-2-enoyl]piperazin-1-yl]acetamide
CID 97433139
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
N-cyclohexyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 9046933
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide (CID 30705203) is 4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2cccc3ccccc23)CC1)NC1CC1.
What is the InChIKey of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide?
The InChIKey is GRLRKCPBMKRLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(21-16-8-9-16)14-23-10-12-24(13-11-23)20(26)22-18-7-3-5-15-4-1-2-6-17(15)18/h1-7,16H,8-14H2,(H,21,25)(H,22,26).
What are the key properties of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide?
4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 30705203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).