N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide

C19H35N5O3 — CID 119480787

IUPACN-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCCC(C(=O)NCCN)C2)C1
InChIInChI=1S/C19H35N5O3/c1-14(2)11-22-19(27)24-10-4-6-16(13-24)18(26)23-9-3-5-15(12-23)17(25)21-8-7-20/h14-16H,3-13,20H2,1-2H3,(H,21,25)(H,22,27)
InChIKeyBFFAFVRBIDEAKO-UHFFFAOYSA-N
MW381.52 g/mol
LogP0.38
Rot. Bonds6

About N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 119480787) has the molecular formula C19H35N5O3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
PubChem CID119480787
Molecular FormulaC19H35N5O3
Molecular Weight381.52 g/mol
Exact Mass381.27
IUPAC NameN-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCCC(C(=O)NCCN)C2)C1
InChIInChI=1S/C19H35N5O3/c1-14(2)11-22-19(27)24-10-4-6-16(13-24)18(26)23-9-3-5-15(12-23)17(25)21-8-7-20/h14-16H,3-13,20H2,1-2H3,(H,21,25)(H,22,27)
InChIKeyBFFAFVRBIDEAKO-UHFFFAOYSA-N
XLogP0.38
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119482486
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996
N-(2-aminoethyl)-1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxamide
CID 64766671
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119594752
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119578508
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide (CID 119480787) is N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide is CC(C)CNC(=O)N1CCCC(C(=O)N2CCCC(C(=O)NCCN)C2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is BFFAFVRBIDEAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3/c1-14(2)11-22-19(27)24-10-4-6-16(13-24)18(26)23-9-3-5-15(12-23)17(25)21-8-7-20/h14-16H,3-13,20H2,1-2H3,(H,21,25)(H,22,27).
What are the key properties of N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119480787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).