4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide

C22H31N3O2 — CID 55761679

IUPAC4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N(C2CC2)C2CCCc3ccccc32)CC1
InChIInChI=1S/C22H31N3O2/c1-23(2)22(27)24-14-12-17(13-15-24)21(26)25(18-10-11-18)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,17-18,20H,5,7,9-15H2,1-2H3
InChIKeyYVYGITRRLBDZRP-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.45
Rot. Bonds3

About 4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide

4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide (PubChem CID 55761679) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide
PubChem CID55761679
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N(C2CC2)C2CCCc3ccccc32)CC1
InChIInChI=1S/C22H31N3O2/c1-23(2)22(27)24-14-12-17(13-15-24)21(26)25(18-10-11-18)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,17-18,20H,5,7,9-15H2,1-2H3
InChIKeyYVYGITRRLBDZRP-UHFFFAOYSA-N
XLogP3.45
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 60556239
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 120560475
N-cyclopropyl-3-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 119728180
1-cyclopropyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 96562882
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161
N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 75807762
3-(1-tert-butyl-1,2,4-triazol-3-yl)-1-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 127826932
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
N-cyclopropyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55592024
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
tert-butyl 4-[2,3-dihydro-1H-inden-1-yl(methyl)carbamoyl]piperidine-1-carboxylate
CID 42941581
N-cyclopropyl-2-hydroxy-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 112817478

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide (CID 55761679) is 4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)N(C2CC2)C2CCCc3ccccc32)CC1.
What is the InChIKey of 4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide?
The InChIKey is YVYGITRRLBDZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-23(2)22(27)24-14-12-17(13-15-24)21(26)25(18-10-11-18)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,17-18,20H,5,7,9-15H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide?
4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55761679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).