(NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine

C23H33N3O — CID 129188454

IUPAC(NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine
SMILESCC(C)C1CCC(N2CCC(n3cc(/C=N/O)c4ccccc43)CC2)CC1
InChIInChI=1S/C23H33N3O/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24-27)22-5-3-4-6-23(22)26/h3-6,15-18,20-21,27H,7-14H2,1-2H3/b24-15+
InChIKeyKXDZSADJKWDKCN-BUVRLJJBSA-N
MW367.54 g/mol
LogP5.30
Rot. Bonds4

About (NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine

(NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine (PubChem CID 129188454) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is (NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine
PubChem CID129188454
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name(NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine
SMILESCC(C)C1CCC(N2CCC(n3cc(/C=N/O)c4ccccc43)CC2)CC1
InChIInChI=1S/C23H33N3O/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24-27)22-5-3-4-6-23(22)26/h3-6,15-18,20-21,27H,7-14H2,1-2H3/b24-15+
InChIKeyKXDZSADJKWDKCN-BUVRLJJBSA-N
XLogP5.30
TPSA40.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine (CID 129188454) is (NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine is CC(C)C1CCC(N2CCC(n3cc(/C=N/O)c4ccccc43)CC2)CC1.
What is the InChIKey of (NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine?
The InChIKey is KXDZSADJKWDKCN-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24-27)22-5-3-4-6-23(22)26/h3-6,15-18,20-21,27H,7-14H2,1-2H3/b24-15+.
What are the key properties of (NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine?
(NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine has a molecular weight of 367.54 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 129188454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).