(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide

C20H26N4O2 — CID 9047038

IUPAC(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C20H26N4O2/c1-15(19(25)22-20(26)21-2)24-12-10-23(11-13-24)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,15H,10-14H2,1-2H3,(H2,21,22,25,26)/t15-/m0/s1
InChIKeyBGTIFMGXHRRBQD-HNNXBMFYSA-N
MW354.45 g/mol
LogP1.80
Rot. Bonds4

About (2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide

(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 9047038) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
PubChem CID9047038
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C20H26N4O2/c1-15(19(25)22-20(26)21-2)24-12-10-23(11-13-24)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,15H,10-14H2,1-2H3,(H2,21,22,25,26)/t15-/m0/s1
InChIKeyBGTIFMGXHRRBQD-HNNXBMFYSA-N
XLogP1.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
(2S)-N-(methylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127707
N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 18282245
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 9389745
(2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300430
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30625134
(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8531278
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 35261539
(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide (CID 9047038) is (2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide is CNC(=O)NC(=O)[C@H](C)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is BGTIFMGXHRRBQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(19(25)22-20(26)21-2)24-12-10-23(11-13-24)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,15H,10-14H2,1-2H3,(H2,21,22,25,26)/t15-/m0/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9047038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).