N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide

C32H56N4O2 — CID 42755679

IUPACN-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCCN(CC)CC)c1
InChIInChI=1S/C32H56N4O2/c1-4-7-8-9-10-11-12-13-14-15-17-20-31(37)34-28-21-22-30(36-24-18-16-19-25-36)29(27-28)32(38)33-23-26-35(5-2)6-3/h21-22,27H,4-20,23-26H2,1-3H3,(H,33,38)(H,34,37)
InChIKeyXHBRKBBLKNJSSR-UHFFFAOYSA-N
MW528.83 g/mol
LogP7.39
Rot. Bonds20

About N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide

N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide (PubChem CID 42755679) has the molecular formula C32H56N4O2 and a molecular weight of 528.83 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide
PubChem CID42755679
Molecular FormulaC32H56N4O2
Molecular Weight528.83 g/mol
Exact Mass528.44
IUPAC NameN-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCCN(CC)CC)c1
InChIInChI=1S/C32H56N4O2/c1-4-7-8-9-10-11-12-13-14-15-17-20-31(37)34-28-21-22-30(36-24-18-16-19-25-36)29(27-28)32(38)33-23-26-35(5-2)6-3/h21-22,27H,4-20,23-26H2,1-3H3,(H,33,38)(H,34,37)
InChIKeyXHBRKBBLKNJSSR-UHFFFAOYSA-N
XLogP7.39
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.83
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757238
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
N-[2-(diethylamino)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)benzamide
CID 3907627
N-[2-(diethylamino)ethyl]-5-(3,3-dimethylbutanoylamino)-2-piperidin-1-ylbenzamide
CID 4538451
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032
N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756110
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085
5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751410
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42660921

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide (CID 42755679) is N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide is CCCCCCCCCCCCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCCN(CC)CC)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide?
The InChIKey is XHBRKBBLKNJSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N4O2/c1-4-7-8-9-10-11-12-13-14-15-17-20-31(37)34-28-21-22-30(36-24-18-16-19-25-36)29(27-28)32(38)33-23-26-35(5-2)6-3/h21-22,27H,4-20,23-26H2,1-3H3,(H,33,38)(H,34,37).
What are the key properties of N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide?
N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide has a molecular weight of 528.83 g/mol, XLogP of 7.39, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide is sourced from PubChem (CID 42755679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).