(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide

C21H29N3O2 — CID 99972262

IUPAC(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C21H29N3O2/c1-17(26-20-9-8-18-6-3-4-7-19(18)16-20)21(25)22-10-5-11-24-14-12-23(2)13-15-24/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyGPAIGYJFOYTFTI-KRWDZBQOSA-N
MW355.48 g/mol
LogP2.36
Rot. Bonds7

About (2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide

(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide (PubChem CID 99972262) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
PubChem CID99972262
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C21H29N3O2/c1-17(26-20-9-8-18-6-3-4-7-19(18)16-20)21(25)22-10-5-11-24-14-12-23(2)13-15-24/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyGPAIGYJFOYTFTI-KRWDZBQOSA-N
XLogP2.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109
(2S)-2-(3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972774
(2R)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 99972258
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162658
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972762
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide
CID 99131039
2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one
CID 17375116
(2R)-2-naphthalen-2-yloxy-N-(3-pyridin-2-ylpropyl)propanamide
CID 97117703

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of (2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide (CID 99972262) is (2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for (2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for (2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide is C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCN(C)CC1.
What is the InChIKey of (2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide?
The InChIKey is GPAIGYJFOYTFTI-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-17(26-20-9-8-18-6-3-4-7-19(18)16-20)21(25)22-10-5-11-24-14-12-23(2)13-15-24/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide?
(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide has a molecular weight of 355.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 99972262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).