1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine

C22H27N3S — CID 110827281

IUPAC1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine
SMILESNC(NCC(c1cccs1)N1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C22H27N3S/c23-22(19-11-6-9-17-8-2-3-10-18(17)19)24-16-20(21-12-7-15-26-21)25-13-4-1-5-14-25/h2-3,6-12,15,20,22,24H,1,4-5,13-14,16,23H2
InChIKeyZDIMXNCWPDHXQK-UHFFFAOYSA-N
MW365.55 g/mol
LogP4.68
Rot. Bonds6

About 1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine

1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine (PubChem CID 110827281) has the molecular formula C22H27N3S and a molecular weight of 365.55 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine
PubChem CID110827281
Molecular FormulaC22H27N3S
Molecular Weight365.55 g/mol
Exact Mass365.19
IUPAC Name1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine
SMILESNC(NCC(c1cccs1)N1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C22H27N3S/c23-22(19-11-6-9-17-8-2-3-10-18(17)19)24-16-20(21-12-7-15-26-21)25-13-4-1-5-14-25/h2-3,6-12,15,20,22,24H,1,4-5,13-14,16,23H2
InChIKeyZDIMXNCWPDHXQK-UHFFFAOYSA-N
XLogP4.68
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-1-naphthalen-1-ylmethanediamine
CID 110827295
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17412718
N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 55346983
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine?
The IUPAC name of 1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine (CID 110827281) is 1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine.
What is the SMILES notation for 1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine?
The canonical SMILES for 1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine is NC(NCC(c1cccs1)N1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine?
The InChIKey is ZDIMXNCWPDHXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3S/c23-22(19-11-6-9-17-8-2-3-10-18(17)19)24-16-20(21-12-7-15-26-21)25-13-4-1-5-14-25/h2-3,6-12,15,20,22,24H,1,4-5,13-14,16,23H2.
What are the key properties of 1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine?
1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine has a molecular weight of 365.55 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine is sourced from PubChem (CID 110827281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).