N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide

C17H30N4O3 — CID 119482275

IUPACN-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CN2CCCCCCC2=O)C1
InChIInChI=1S/C17H30N4O3/c18-8-9-19-17(24)14-6-5-11-20(12-14)16(23)13-21-10-4-2-1-3-7-15(21)22/h14H,1-13,18H2,(H,19,24)
InChIKeyIDVHWCPUNPUUMN-UHFFFAOYSA-N
MW338.45 g/mol
LogP0.09
Rot. Bonds5

About N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 119482275) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID119482275
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CN2CCCCCCC2=O)C1
InChIInChI=1S/C17H30N4O3/c18-8-9-19-17(24)14-6-5-11-20(12-14)16(23)13-21-10-4-2-1-3-7-15(21)22/h14H,1-13,18H2,(H,19,24)
InChIKeyIDVHWCPUNPUUMN-UHFFFAOYSA-N
XLogP0.09
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxamide
CID 119481485
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393
N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide
CID 119479808
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
CID 63251976
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide (CID 119482275) is N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)CN2CCCCCCC2=O)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is IDVHWCPUNPUUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c18-8-9-19-17(24)14-6-5-11-20(12-14)16(23)13-21-10-4-2-1-3-7-15(21)22/h14H,1-13,18H2,(H,19,24).
What are the key properties of N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 119482275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).