N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide

C13H26N4O2 — CID 63891883

IUPACN-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
SMILESCNC(=O)CCCN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C13H26N4O2/c1-15-12(18)5-3-9-17-8-2-4-11(10-17)13(19)16-7-6-14/h11H,2-10,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyPPZFEUFPYZZKJY-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.70
Rot. Bonds7

About N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide (PubChem CID 63891883) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
PubChem CID63891883
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
SMILESCNC(=O)CCCN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C13H26N4O2/c1-15-12(18)5-3-9-17-8-2-4-11(10-17)13(19)16-7-6-14/h11H,2-10,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyPPZFEUFPYZZKJY-UHFFFAOYSA-N
XLogP-0.70
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
N-(2-aminoethyl)-1-[3-(oxolan-2-yl)propyl]piperidine-3-carboxamide
CID 65162001
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926
4-(3-hydroxypiperidin-1-yl)-N-methylbutanamide
CID 63892540
N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119916925
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63252709
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916688
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
N-(2-aminoethyl)-1-[2-(cyclopentylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63252704

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide (CID 63891883) is N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide is CNC(=O)CCCN1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide?
The InChIKey is PPZFEUFPYZZKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-15-12(18)5-3-9-17-8-2-4-11(10-17)13(19)16-7-6-14/h11H,2-10,14H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide is sourced from PubChem (CID 63891883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).