4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide

C20H27N3O2 — CID 111383892

IUPAC4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCN(CCCO)C1CCN(C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-22(12-5-15-24)17-10-13-23(14-11-17)20(25)21-19-9-4-7-16-6-2-3-8-18(16)19/h2-4,6-9,17,24H,5,10-15H2,1H3,(H,21,25)
InChIKeySOCAAHFVDYNHEX-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.15
Rot. Bonds5

About 4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide

4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide (PubChem CID 111383892) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
PubChem CID111383892
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCN(CCCO)C1CCN(C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-22(12-5-15-24)17-10-13-23(14-11-17)20(25)21-19-9-4-7-16-6-2-3-8-18(16)19/h2-4,6-9,17,24H,5,10-15H2,1H3,(H,21,25)
InChIKeySOCAAHFVDYNHEX-UHFFFAOYSA-N
XLogP3.15
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 51128290
4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 111446778
4-[3-hydroxypropyl(methyl)amino]-N-pyridin-2-ylpiperidine-1-carboxamide
CID 71931015
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide
CID 71931011
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
CID 97284758

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide (CID 111383892) is 4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide is CN(CCCO)C1CCN(C(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of 4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The InChIKey is SOCAAHFVDYNHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22(12-5-15-24)17-10-13-23(14-11-17)20(25)21-19-9-4-7-16-6-2-3-8-18(16)19/h2-4,6-9,17,24H,5,10-15H2,1H3,(H,21,25).
What are the key properties of 4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide?
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 111383892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).