(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide

C15H21N3O2 — CID 108922448

IUPAC(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide
SMILESC/C(=C\C(=O)NC1CCN(C(=O)CC#N)CC1)C1CC1
InChIInChI=1S/C15H21N3O2/c1-11(12-2-3-12)10-14(19)17-13-5-8-18(9-6-13)15(20)4-7-16/h10,12-13H,2-6,8-9H2,1H3,(H,17,19)/b11-10+
InChIKeyORLXFJMKHPPMEX-ZHACJKMWSA-N
MW275.35 g/mol
LogP1.36
Rot. Bonds4

About (E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide

(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide (PubChem CID 108922448) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide
PubChem CID108922448
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide
SMILESC/C(=C\C(=O)NC1CCN(C(=O)CC#N)CC1)C1CC1
InChIInChI=1S/C15H21N3O2/c1-11(12-2-3-12)10-14(19)17-13-5-8-18(9-6-13)15(20)4-7-16/h10,12-13H,2-6,8-9H2,1H3,(H,17,19)/b11-10+
InChIKeyORLXFJMKHPPMEX-ZHACJKMWSA-N
XLogP1.36
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide
CID 108922439
3-(4-acetylpiperidin-1-yl)-3-oxopropanenitrile;ethane
CID 144882446
N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide
CID 108922380
3-chloro-N-[1-(2-cyanoacetyl)piperidin-4-yl]propanamide
CID 108563263
[3-[4-[[(E)-3-cyclopropylbut-2-enoyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927580
(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 108922386
[1-(2-cyanoacetyl)pyrrolidin-3-yl]carbamic acid
CID 118077504
3-(4-acetylpiperazin-1-yl)-3-oxopropanenitrile
CID 24696391
(E)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3,4,4-trimethylpent-2-enamide
CID 108922316
N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557889
3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
CID 58641605
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
CID 108922132

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide?
The IUPAC name of (E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide (CID 108922448) is (E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide.
What is the SMILES notation for (E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide?
The canonical SMILES for (E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide is C/C(=C\C(=O)NC1CCN(C(=O)CC#N)CC1)C1CC1.
What is the InChIKey of (E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide?
The InChIKey is ORLXFJMKHPPMEX-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(12-2-3-12)10-14(19)17-13-5-8-18(9-6-13)15(20)4-7-16/h10,12-13H,2-6,8-9H2,1H3,(H,17,19)/b11-10+.
What are the key properties of (E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide?
(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide has a molecular weight of 275.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide is sourced from PubChem (CID 108922448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).