N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide

C10H20N4O2 — CID 114424437

IUPACN-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCNC(N)=O)C1
InChIInChI=1S/C10H20N4O2/c1-7-2-3-12-8(6-7)9(15)13-4-5-14-10(11)16/h7-8,12H,2-6H2,1H3,(H,13,15)(H3,11,14,16)
InChIKeyCGBDCCVMFMYDEB-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.84
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide

N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide (PubChem CID 114424437) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
PubChem CID114424437
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCNC(N)=O)C1
InChIInChI=1S/C10H20N4O2/c1-7-2-3-12-8(6-7)9(15)13-4-5-14-10(11)16/h7-8,12H,2-6H2,1H3,(H,13,15)(H3,11,14,16)
InChIKeyCGBDCCVMFMYDEB-UHFFFAOYSA-N
XLogP-0.84
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide
CID 114424559
4-methylpiperidine-2-carbohydrazide
CID 114424068
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
CID 114424240
4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
CID 106186997
4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 114424090
N-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
4-methyl-N-[(3-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114130671
N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
CID 103461667
4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide
CID 114423872

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide (CID 114424437) is N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)NCCNC(N)=O)C1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is CGBDCCVMFMYDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-7-2-3-12-8(6-7)9(15)13-4-5-14-10(11)16/h7-8,12H,2-6H2,1H3,(H,13,15)(H3,11,14,16).
What are the key properties of N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide?
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 228.30 g/mol, XLogP of -0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114424437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).