2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate

C24H40N4O3 — CID 54170141

IUPAC2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
SMILESCCCCc1ccc(NC(=O)N2CCCCC2CCOC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C24H40N4O3/c1-4-5-9-20-11-13-21(14-12-20)26-23(29)28-18-7-6-10-22(28)15-19-31-24(30)25-16-8-17-27(2)3/h11-14,22H,4-10,15-19H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyOUKYFAMDCNTRRY-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.48
Rot. Bonds11

About 2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate

2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate (PubChem CID 54170141) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate.

Molecular Properties

Compound Name2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
PubChem CID54170141
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC Name2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
SMILESCCCCc1ccc(NC(=O)N2CCCCC2CCOC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C24H40N4O3/c1-4-5-9-20-11-13-21(14-12-20)26-23(29)28-18-7-6-10-22(28)15-19-31-24(30)25-16-8-17-27(2)3/h11-14,22H,4-10,15-19H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyOUKYFAMDCNTRRY-UHFFFAOYSA-N
XLogP4.48
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[3-(dimethylamino)propylcarbamoyl]piperidin-2-yl]ethyl N-octadecylcarbamate
CID 18789453
octadecyl 2-[2-[3-(dimethylamino)propylcarbamoyloxy]ethyl]piperidine-1-carboxylate;hydrochloride
CID 18789378
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(5-pyrrolidin-1-ylpentyl)carbamate
CID 18789458
(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 97331505
2-[4-acetamido-1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
CID 18789449
2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371172
2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide
CID 57112037
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate
CID 142636015
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate
CID 18789468
2-(1-octadecanoylpiperidin-2-yl)ethyl 4-(dimethylamino)butanoate
CID 54504435
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate?
The IUPAC name of 2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate (CID 54170141) is 2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate.
What is the SMILES notation for 2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate?
The canonical SMILES for 2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate is CCCCc1ccc(NC(=O)N2CCCCC2CCOC(=O)NCCCN(C)C)cc1.
What is the InChIKey of 2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate?
The InChIKey is OUKYFAMDCNTRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O3/c1-4-5-9-20-11-13-21(14-12-20)26-23(29)28-18-7-6-10-22(28)15-19-31-24(30)25-16-8-17-27(2)3/h11-14,22H,4-10,15-19H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate?
2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate has a molecular weight of 432.61 g/mol, XLogP of 4.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate is sourced from PubChem (CID 54170141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).