N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide

C18H30N2O2 — CID 142326816

IUPACN-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide
SMILESC=C/C=C(\C=C)CC1(NC(=O)CC(C)(C)O)CCN(C)CC1
InChIInChI=1S/C18H30N2O2/c1-6-8-15(7-2)13-18(9-11-20(5)12-10-18)19-16(21)14-17(3,4)22/h6-8,22H,1-2,9-14H2,3-5H3,(H,19,21)/b15-8+
InChIKeyBKTIRQAKIAMKFO-OVCLIPMQSA-N
MW306.45 g/mol
LogP2.42
Rot. Bonds7

About N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide

N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 142326816) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide
PubChem CID142326816
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide
SMILESC=C/C=C(\C=C)CC1(NC(=O)CC(C)(C)O)CCN(C)CC1
InChIInChI=1S/C18H30N2O2/c1-6-8-15(7-2)13-18(9-11-20(5)12-10-18)19-16(21)14-17(3,4)22/h6-8,22H,1-2,9-14H2,3-5H3,(H,19,21)/b15-8+
InChIKeyBKTIRQAKIAMKFO-OVCLIPMQSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide (CID 142326816) is N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide is C=C/C=C(\C=C)CC1(NC(=O)CC(C)(C)O)CCN(C)CC1.
What is the InChIKey of N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is BKTIRQAKIAMKFO-OVCLIPMQSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-6-8-15(7-2)13-18(9-11-20(5)12-10-18)19-16(21)14-17(3,4)22/h6-8,22H,1-2,9-14H2,3-5H3,(H,19,21)/b15-8+.
What are the key properties of N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide?
N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 306.45 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2Z)-2-ethenylpenta-2,4-dienyl]-1-methylpiperidin-4-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 142326816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).