N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide

C17H22N4O — CID 135628105

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C17H22N4O/c22-17(8-11-21-9-4-1-5-10-21)20-19-13-14-12-18-16-7-3-2-6-15(14)16/h2-3,6-7,12-13,18H,1,4-5,8-11H2,(H,20,22)/b19-13+
InChIKeyRJTAUUOGAJTGRB-CPNJWEJPSA-N
MW298.39 g/mol
LogP2.49
Rot. Bonds5

About N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide

N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide (PubChem CID 135628105) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide
PubChem CID135628105
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C17H22N4O/c22-17(8-11-21-9-4-1-5-10-21)20-19-13-14-12-18-16-7-3-2-6-15(14)16/h2-3,6-7,12-13,18H,1,4-5,8-11H2,(H,20,22)/b19-13+
InChIKeyRJTAUUOGAJTGRB-CPNJWEJPSA-N
XLogP2.49
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 6089
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Lysergic acid amide
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Indoramin
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Gramine
CID 6890
Indalpine
CID 44668
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
Anamorelin
CID 9828911
Indole-3-acetamide
CID 397
N-Acetyltryptamine
CID 70547
Indoramin hydrochloride
CID 38102

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide (CID 135628105) is N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide?
The InChIKey is RJTAUUOGAJTGRB-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(8-11-21-9-4-1-5-10-21)20-19-13-14-12-18-16-7-3-2-6-15(14)16/h2-3,6-7,12-13,18H,1,4-5,8-11H2,(H,20,22)/b19-13+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 135628105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).