5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide

C17H25ClN4O2 — CID 19783274

IUPAC5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
SMILESNCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCCC3)CC1
InChIInChI=1S/C17H25ClN4O2/c18-14-10-13(16-12(15(14)20)2-1-9-24-16)17(23)21-11-3-6-22(7-4-11)8-5-19/h10-11H,1-9,19-20H2,(H,21,23)
InChIKeyLUJTWDMLNRBHIV-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.40
Rot. Bonds4

About 5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide

5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 19783274) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID19783274
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
SMILESNCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCCC3)CC1
InChIInChI=1S/C17H25ClN4O2/c18-14-10-13(16-12(15(14)20)2-1-9-24-16)17(23)21-11-3-6-22(7-4-11)8-5-19/h10-11H,1-9,19-20H2,(H,21,23)
InChIKeyLUJTWDMLNRBHIV-UHFFFAOYSA-N
XLogP1.40
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of 5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide (CID 19783274) is 5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for 5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide is NCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCCC3)CC1.
What is the InChIKey of 5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is LUJTWDMLNRBHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c18-14-10-13(16-12(15(14)20)2-1-9-24-16)17(23)21-11-3-6-22(7-4-11)8-5-19/h10-11H,1-9,19-20H2,(H,21,23).
What are the key properties of 5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide?
5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 19783274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).