(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide

C11H22N4O2 — CID 83111640

IUPAC(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C11H22N4O2/c1-15(2)11(17)14-7-6-13-10(16)9-4-3-5-12-8-9/h9,12H,3-8H2,1-2H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyHQYZVHGVVWBUDY-VIFPVBQESA-N
MW242.32 g/mol
LogP-0.63
Rot. Bonds4

About (3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide

(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide (PubChem CID 83111640) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide
PubChem CID83111640
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C11H22N4O2/c1-15(2)11(17)14-7-6-13-10(16)9-4-3-5-12-8-9/h9,12H,3-8H2,1-2H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyHQYZVHGVVWBUDY-VIFPVBQESA-N
XLogP-0.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123203
(3S)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-3-carboxamide
CID 81140340
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3R)-N-[2-(dimethylamino)-4-methylpentyl]piperidine-3-carboxamide
CID 81141730
N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
(3S)-N-[3-(diethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 81124971
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-3-carboxamide
CID 60981375
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
N-pent-3-ynylpiperidine-3-carboxamide
CID 116644116
(3S)-N-pent-3-ynylpiperidine-3-carboxamide
CID 104891658
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
CID 81128243

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide (CID 83111640) is (3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide is CN(C)C(=O)NCCNC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is HQYZVHGVVWBUDY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N4O2/c1-15(2)11(17)14-7-6-13-10(16)9-4-3-5-12-8-9/h9,12H,3-8H2,1-2H3,(H,13,16)(H,14,17)/t9-/m0/s1.
What are the key properties of (3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide?
(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 83111640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).