N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide

C14H28N4O — CID 79160685

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCN(CCN)CC2)CC1
InChIInChI=1S/C14H28N4O/c1-12-2-9-18(10-3-12)14(19)16-13-4-7-17(8-5-13)11-6-15/h12-13H,2-11,15H2,1H3,(H,16,19)
InChIKeyJTSPPTMTOPUEPG-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.85
Rot. Bonds3

About N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide

N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 79160685) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide
PubChem CID79160685
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCN(CCN)CC2)CC1
InChIInChI=1S/C14H28N4O/c1-12-2-9-18(10-3-12)14(19)16-13-4-7-17(8-5-13)11-6-15/h12-13H,2-11,15H2,1H3,(H,16,19)
InChIKeyJTSPPTMTOPUEPG-UHFFFAOYSA-N
XLogP0.85
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-4-methylpiperidine-1-carboxamide
CID 47240960
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 127236629
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
CID 23450282
4-methyl-N-(4-propylcyclohexyl)piperidine-1-carboxamide
CID 115590990
N-[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]morpholine-4-carboxamide
CID 126821611
N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110911537
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895987
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
N-[1-(2-aminoethyl)piperidin-4-yl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65152326
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide (CID 79160685) is N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC2CCN(CCN)CC2)CC1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is JTSPPTMTOPUEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-12-2-9-18(10-3-12)14(19)16-13-4-7-17(8-5-13)11-6-15/h12-13H,2-11,15H2,1H3,(H,16,19).
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide?
N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79160685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).