1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide

C11H20N4O — CID 63029052

IUPAC1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide
SMILESCNC(C#N)CCN1CCCC(C(N)=O)C1
InChIInChI=1S/C11H20N4O/c1-14-10(7-12)4-6-15-5-2-3-9(8-15)11(13)16/h9-10,14H,2-6,8H2,1H3,(H2,13,16)
InChIKeyQPMQBLOLWSWFSA-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.31
Rot. Bonds5

About 1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide

1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide (PubChem CID 63029052) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide
PubChem CID63029052
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide
SMILESCNC(C#N)CCN1CCCC(C(N)=O)C1
InChIInChI=1S/C11H20N4O/c1-14-10(7-12)4-6-15-5-2-3-9(8-15)11(13)16/h9-10,14H,2-6,8H2,1H3,(H2,13,16)
InChIKeyQPMQBLOLWSWFSA-UHFFFAOYSA-N
XLogP-0.31
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide
CID 78913114
2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile
CID 63029852
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide
CID 43213972
1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide
CID 23456665
4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63029104
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
1-[6-(hydroxyamino)-6-oxohexyl]piperidine-3-carboxamide
CID 175801868

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide (CID 63029052) is 1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide is CNC(C#N)CCN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide?
The InChIKey is QPMQBLOLWSWFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14-10(7-12)4-6-15-5-2-3-9(8-15)11(13)16/h9-10,14H,2-6,8H2,1H3,(H2,13,16).
What are the key properties of 1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide?
1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 63029052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).