(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide

C23H32N4O2 — CID 8804679

IUPAC(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H32N4O2/c1-3-11-24-23(29)18(2)25-22(28)17-27-14-12-26(13-15-27)16-20-9-6-8-19-7-4-5-10-21(19)20/h4-10,18H,3,11-17H2,1-2H3,(H,24,29)(H,25,28)/t18-/m1/s1
InChIKeyMPGKGGUZXYLCNE-GOSISDBHSA-N
MW396.54 g/mol
LogP1.99
Rot. Bonds8

About (2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide

(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide (PubChem CID 8804679) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
PubChem CID8804679
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H32N4O2/c1-3-11-24-23(29)18(2)25-22(28)17-27-14-12-26(13-15-27)16-20-9-6-8-19-7-4-5-10-21(19)20/h4-10,18H,3,11-17H2,1-2H3,(H,24,29)(H,25,28)/t18-/m1/s1
InChIKeyMPGKGGUZXYLCNE-GOSISDBHSA-N
XLogP1.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 31001505
4-(naphthalen-1-ylmethyl)-N-propylpiperazine-1-carbothioamide
CID 9097497
N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 6468013
(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8689701
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-cyclohexyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 9046933
(2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
CID 8616835
(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8691416
(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
N-(3-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195134

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide (CID 8804679) is (2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide?
The InChIKey is MPGKGGUZXYLCNE-GOSISDBHSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-3-11-24-23(29)18(2)25-22(28)17-27-14-12-26(13-15-27)16-20-9-6-8-19-7-4-5-10-21(19)20/h4-10,18H,3,11-17H2,1-2H3,(H,24,29)(H,25,28)/t18-/m1/s1.
What are the key properties of (2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide?
(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide has a molecular weight of 396.54 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 8804679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).