N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide

C18H32N4O — CID 89164501

IUPACN-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)/C(=C/CC1C/C(=C/C(N)=C/N)CCN1)CC
InChIInChI=1S/C18H32N4O/c1-4-17(22(6-3)18(23)5-2)8-7-16-12-14(9-10-21-16)11-15(20)13-19/h8,11,13,16,21H,4-7,9-10,12,19-20H2,1-3H3/b14-11+,15-13-,17-8+
InChIKeyPAELPTNNEIZQCB-WMHMFRHUSA-N
MW320.48 g/mol
LogP2.37
Rot. Bonds7

About N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide

N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide (PubChem CID 89164501) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide
PubChem CID89164501
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)/C(=C/CC1C/C(=C/C(N)=C/N)CCN1)CC
InChIInChI=1S/C18H32N4O/c1-4-17(22(6-3)18(23)5-2)8-7-16-12-14(9-10-21-16)11-15(20)13-19/h8,11,13,16,21H,4-7,9-10,12,19-20H2,1-3H3/b14-11+,15-13-,17-8+
InChIKeyPAELPTNNEIZQCB-WMHMFRHUSA-N
XLogP2.37
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide?
The IUPAC name of N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide (CID 89164501) is N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide.
What is the SMILES notation for N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide?
The canonical SMILES for N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide is CCC(=O)N(CC)/C(=C/CC1C/C(=C/C(N)=C/N)CCN1)CC.
What is the InChIKey of N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide?
The InChIKey is PAELPTNNEIZQCB-WMHMFRHUSA-N. The full InChI is InChI=1S/C18H32N4O/c1-4-17(22(6-3)18(23)5-2)8-7-16-12-14(9-10-21-16)11-15(20)13-19/h8,11,13,16,21H,4-7,9-10,12,19-20H2,1-3H3/b14-11+,15-13-,17-8+.
What are the key properties of N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide?
N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide has a molecular weight of 320.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide is sourced from PubChem (CID 89164501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).